SCHEMBL930305

SCHEMBL930305

NNC(=O)c1ncc(Br)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.59
KDM4E B2RXH2 7/20 0.48
OGG1 O15527 1/20 0.47
ALDH1A1 P00352 6/20 0.42
LMNA P02545 2/20 0.42
BACE1 P56817 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C19 P33261 1/20 0.38
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16027768 0.78 P2RX7 (0.59) P2RX7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL31589536 0.78 P2RX7 (0.59) P2RX7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL658490 0.78 CREBBP (0.41) P2RX7KDM4EALDH1A1BACE1MEN1
SCHEMBL31538477 0.78 P2RX7 (0.59) P2RX7KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL17697619 0.78 SMN1; SMN2 (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15228258 0.76 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3955429 0.75 P2RX7 (0.55) P2RX7KDM4EOGG1ALDH1A1LMNA
SCHEMBL1855352 0.75 KDM4E (0.40) KDM4EALDH1A1BACE1SMN1; SMN2KMT2A
SCHEMBL110389 0.75 P2RX7 (1.00) P2RX7KDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL2538917 0.74 NPC1 (0.41) KDM4EALDH1A1LMNASMN1; SMN2GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577228-B2 Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds UCB Biopharma SRL (BE) 2026-03-17 US disclosed
EP-4081296-B1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB Biopharma SRL (BE) 2026-02-11 EP disclosed
US-12325678-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2025-06-10 US disclosed
WO-2025110780-A1 NOVEL HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME AS DNA POLYMERASE THETA INHIBITORS FOR THE PREVENTION OR TREATMENT OF CANCER DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2025-05-30 WO disclosed
CN-120040437-A Novel heterocyclic compound and pharmaceutical composition comprising same 株式会社大熊制药 2025-05-27 CN disclosed
US-20240124392-A1 ANTI-FUNGALS COMPOUNDS TARGETING THE SYNTHESIS OF FUNGAL SPHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-04-18 US disclosed
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-01-02 US disclosed
US-20230303517-A1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (GB) 2023-09-28 US disclosed
CN-115586273-A Compound non-target identification method based on bromine isotope labeling 遵义医科大学 2023-01-10 CN disclosed
US-20220394973-A1 ANTI-FUNGALS COMPOUNDS TARGETING THE SYNTHESIS OF FUNGAL SPHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-12-15 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists PFIZER INC 2008-05-08 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
US-7291640-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC. (US) 2007-11-06 US disclosed
EP-1673355-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2006-06-28 EP disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
WO-2005028452-A9 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LTD (GB) 2005-07-21 WO disclosed
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. PFIZER INC. 2005-05-19 US disclosed
WO-2005028452-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2005-03-31 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220394973-A1 ANTI-FUNGALS COMPOUNDS TARGETING THE SYNTHESIS OF FUNGAL SPHINGOLIPIDS ERG28, UGCG, DPM1 P2RX7 4405/4885KDM4E 1377/4885OGG1 2750/4885
US-12325678-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, SMPD1 P2RX7 4455/4885KDM4E 1113/4885OGG1 2842/4885
US-20230303517-A1 DIHYDROCYCLOPENTA-ISOQUINOLINE-SULFONAMIDE DERIVATIVES COMPOUNDS FCER2, FCGR1A, FCGR2A P2RX7 187/4885KDM4E 1848/4885OGG1 4725/4885
US-20050107382-A1 e.g. 2-(4-fluoro-2-methylphenyl)-5-(5-methoxymethyl-4-(6-methoxypyridin-3-yl)-4H-[1,2,4]triazol-3-yl)-pyridine; treatment of arousal disorder, orgasmic disorder, sexual pain disorder and premature ejaculation, preterm labor, appetite and feeding disorders, dysmenorrhoea, congestive heart failure, etc. OXTR, OPRL1, NPY4R P2RX7 414/4885KDM4E 655/4885OGG1 4829/4885
US-12577228-B2 Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds FCGR2A, FCER2, FCGR1A P2RX7 283/4885KDM4E 2965/4885OGG1 2576/4885
US-20080108625-A1 Substituted Triazole Derivatives as Oxytocin Antagonists OXTR, PRLHR, KISS1R P2RX7 611/4885KDM4E 1314/4885OGG1 4291/4885
US-11858880-B2 Anti-fungals compounds targeting the synthesis of fungal sphingolipids ERG28, UGCG, DPM1 P2RX7 4405/4885KDM4E 1377/4885OGG1 2750/4885
US-20240124392-A1 ANTI-FUNGALS COMPOUNDS TARGETING THE SYNTHESIS OF FUNGAL SPHINGOLIPIDS ERG28, UGCG, DPM1 P2RX7 4405/4885KDM4E 1377/4885OGG1 2750/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.