SCHEMBL9955

SCHEMBL9955

Brc1ccc(-c2cc[nH]n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.50
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
ATM Q13315 1/20 0.41
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
LTA4H P09960 1/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GSK3B P49841 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK1 P28482 2/20 0.37
CYP2A6 P11509 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
SCHEMBL16766999 0.88 LMNA (0.36) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8431086 0.80 METAP2 (0.35) METAP2RAB9ASMN1; SMN2NPC1ERBB2
SCHEMBL6344688 0.77 MAPT (0.46) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL989177 0.77 CA12 (0.42) RAB9ASMN1; SMN2NPC1ATMMAPT
SCHEMBL1645103 0.77 METAP2 (0.50) METAP2RAB9ANPC1MAPTMEN1
SCHEMBL2765284 0.77 KMT2A (0.52) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL1926319 0.77 METAP2 (0.50) METAP2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8486152 0.77 LMNA (0.35) MEN1KMT2ACYP1A2LMNA
SCHEMBL1260621 0.77 LMNA (0.32) MEN1KMT2ALMNA
SCHEMBL3442252 0.77 METAP2 (0.50) METAP2RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674200-B A kind of compound and its preparation method and application containing L- prolineamide segment 西安交通大学 2019-04-12 CN claimed
CN-1668595-A Method for forming carbon-carbon or carbon-heteroatom bonds RHONE POULENC CHIMIE (FR) 2005-09-14 CN claimed
EP-3681883-B1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-21 EP disclosed
CN-111094278-B Diphenyl derivative and use thereof 诺华股份有限公司 2023-07-14 CN disclosed
CN-110483400-B Preparation method of pyrazole derivative 上海应用技术大学 2023-04-28 CN disclosed
CN-110372636-B Glucose ceramide synthase inhibitors for the treatment of diseases 生物马林药物股份有限公司 2023-03-28 CN disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
CN-1668595-A Method for forming carbon-carbon or carbon-heteroatom bonds RHONE POULENC CHIMIE (FR) 2005-09-14 CN disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
CN-1049658-C Pyrazolo[4,3-c]pyridines, a process for their preparation and their use as serotonin reuptake inhibitors HOECHST MARION ROUSSEL INC (US) 2000-02-23 CN disclosed
CN-1099033-A Pyrazolo [4,3-c] pyridine, their preparation method and as the purposes of serotonin reuptake inhibitors HOECHST ROUSSEL PHARMA (US) 1995-02-22 CN disclosed
US-4950678-A PESTICIDES SANDOZ LTD. (CH) 1990-08-21 US 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 (2 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 METAP2 1552/4885RAB9A 1370/4885SMN1; SMN2 1269/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R METAP2 1296/4885RAB9A 2739/4885SMN1; SMN2 3105/4885

“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.