SCHEMBL354607

SCHEMBL354607

Cc1cc(-c2ccccc2)on1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 6/20 0.61
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 2/20 0.54
USP2 O75604 1/20 0.54
TSHR P16473 1/20 0.54
NOTUM Q6P988 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 3/20 0.50

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
SCHEMBL2270503 0.83 NPC1 (0.59) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL12266910 0.82 CSF1R (0.49) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL24307626 0.81 NPC1 (0.58) RAB9ANPC1CASP3SENP8SENP7
Ammonia Solution, Strong SCHEMBL28862474 0.81 NPC1 (0.58) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL11786351 0.81 CYP1A2 (0.51) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL1672 0.79 PTPN1 (0.56) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL2272084 0.79 CYP1A2 (0.54) RAB9ANPC1CYP1A2CYP19A1CYP2C9
SCHEMBL16373702 0.79 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1KDM4EUSP2
SCHEMBL13514282 0.79 CYP1A2 (0.54) RAB9ANPC1CASP3SENP8SENP7
SCHEMBL28746964 0.79 CYP1A2 (0.54) RAB9ANPC1CASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN claimed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP claimed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP claimed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO claimed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US claimed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US claimed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
CN-117126118-A Synthesis method of celecoxib 上海应用技术大学 2023-11-28 CN disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
WO-2023067322-A1 TRICYCLIC GPR65 MODULATORS Pathios Therapeutics Limited (GB) 2023-04-27 WO disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
CN-110483430-B Preparation method of isoxazole derivative 上海应用技术大学 2023-02-10 CN disclosed
EP-0192931-B1 PROCESS FOR THE PREPARATION OF ISOXAZOLES FIRMENICH SA (CH) 1988-09-07 EP disclosed
US-4670109-A ANODIC OXIDATION OF ALPHA-BETA UNSATURATED OXIMES FIRMENICH SA (CH) 1987-06-02 US disclosed
EP-0220947-A2 Polyfluoroalkylisoxazolylamines, their preparation and use SHIONOGI & CO., LTD. (JP) 1987-05-06 EP disclosed
EP-0192931-A1 Process for the preparation of isoxazoles FIRMENICH SA (CH) 1986-09-03 EP disclosed
US-4010193-A (ALKYLAMINO)ALKYL SUBSTITUTED BENZOATES, LOCAL ANESTHETIC, ANTIFIBRILLATORY, ANTIARRHYTHMIAL CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) 1977-03-01 US disclosed
US-3935219-A Antimicrobial dihalonitromethylisoxazoles PURDUE RESEARCH LABORATORY (US) 1976-01-27 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 (4 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-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 RAB9A 901/4885NPC1 1035/4885CASP3 1558/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA RAB9A 3338/4885NPC1 2618/4885CASP3 788/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 RAB9A 20/4885NPC1 4197/4885CASP3 2634/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 RAB9A 480/4885NPC1 2546/4885CASP3 2777/4885

“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.