SCHEMBL995829

SCHEMBL995829

O=C(Nc1nccs1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 1.00
RAB9A P51151 8/20 1.00
SCD O00767 1/20 0.88
KCNK3 O14649 1/20 0.78
KCNK9 Q9NPC2 1/20 0.78
POLB P06746 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.71
LMNA P02545 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
L3MBTL1 Q9Y468 2/20 0.71
RECQL P46063 1/20 0.71
CYP1A2 P05177 1/20 0.69
METAP2 P50579 1/20 0.69
METAP1 P53582 1/20 0.69
AGER Q15109 1/20 0.66
HSPA5 P11021 1/20 0.64
HSPA9 P38646 1/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64

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
Hydrochloric Acid SCHEMBL27594584 0.98 NPC1 (0.97) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL16562033 0.94 SCD (1.00) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4285954 0.92 NPC1 (0.85) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4290771 0.88 NPC1 (0.79) NPC1RAB9ASCDKCNK3KCNK9
Nitrobenzene SCHEMBL27694792 0.87 NPC1 (0.82) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL11059973 0.87 RAB9A (0.77) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL2628996 0.86 NPC1 (0.76) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL14082184 0.85 NPC1 (0.74) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4636379 0.85 NPC1 (0.73) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL4600878 0.85 NPC1 (0.73) NPC1RAB9ASCDKCNK3KCNK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623372-B1 PYRROLO AND PYRAZOLOPYRIMIDINES AS UBIQUITIN-SPECIFIC PROTEASE 7 INHIBITORS VALO HEALTH INC (US) 2026-02-04 EP claimed
EP-4580404-A2 SULFONAMIDE APYRASE INHIBITORS Texas Crop Science, Inc. (US) 2025-07-09 EP claimed
WO-2025121320-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR POLYCYSTIC KIDNEY DISEASE 国立大学法人山口大学 2025-06-12 WO claimed
CN-120058701-A Thioether structure-containing targeted PHGDH active molecular probe, preparation method and application thereof 中国药科大学 2025-05-30 CN claimed
CN-112480104-B Nitrazonit derivative and medical application thereof 绍兴君科臻元医药科技有限公司 2024-06-18 CN claimed
US-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE, INC. 2024-03-28 US claimed
WO-2024050041-A2 SULFONAMIDE APYRASE INHIBITORS TEXAS CROP SCIENCE (US) 2024-03-07 WO claimed
EP-3324954-B1 AMINONAPTHOQUINONE COMPOUNDS AND PHARMACEUTICAL COMPOSITION FOR BLOCKING UBIQUITINATION-PROTEASOME SYSTEM IN DISEASES CALGENT BIOTECHNOLOGY CO LTD (TW) 2022-03-09 EP claimed
CN-105030797-B The composition of a kind of anti-japanese encephalitis virus infection and its application 中国农业科学院上海兽医研究所 2018-10-23 CN claimed
CN-108602827-A Imidazopyrazine inhibitors of Bruton's tyrosine kinase 安塞塔制药公司 2018-09-28 CN claimed
CN-1870996-A N-thiazol-2-yl-benzamide derivatives LUNDBECK & CO AS H (DK) 2006-11-29 CN claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
EP-0934938-B1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 2003-01-15 EP claimed
EP-1102743-B1 AMIDE DERIVATIVES WHICH ARE USEFUL AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
CN-1072652-C Substd. benzoylaminothiazole derivatives and drugs containing same ZERIA PHARM CO LTD (JP) 2001-10-10 CN claimed
US-6121301-A ADMINISTERING TO PREVENT OR TREAT GASTROINTESTINAL DYSMOTILITY; COMPOUNDS SUCH AS 2-((N-(3-CYANOBENZOYL)AMINO)-4-((3-DIISOPROPYLAMINOPROPYL)AMINOCARBONYL)-1,3-THIAZOLE ZERIA PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US claimed
CN-1234028-A Substd. benzoylaminothiazole derivatives and drugs containing same ZERIA PHARM CO LTD (JP) 1999-11-03 CN claimed
EP-0934938-A1 SUBSTITUTED BENZOYLAMINOTHIAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP claimed

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-20240099300-A1 SULFONAMIDE APYRASE INHIBITORS APEH, ARSA, DNPEP NPC1 3337/4885RAB9A 1777/4885SCD 152/4885
US-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 NPC1 313/4885RAB9A 1847/4885SCD 1740/4885

“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.