SCHEMBL3926262

SCHEMBL3926262

Cn1nccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP19A1 P11511 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PORCN Q9H237 1/20 0.50
COMT P21964 1/20 0.48
NAAA Q02083 1/20 0.46
SLC13A5 Q86YT5 1/20 0.43
CCNB2 O95067 1/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CDK5 Q00535 1/20 0.43

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
SCHEMBL14938282 0.96 PORCN (0.55) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL4133270 0.82 CYP1A2 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30122990 0.82 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14937928 0.80 PORCN (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3447723 0.80 CYP1A2 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15950989 0.80 COMT (0.60) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL30268376 0.79 CYP2A6 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL13537099 0.79 CYP2A6 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL14937987 0.79 CYP2A6 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6CYP19A1
SCHEMBL12742950 0.79 KDM4E (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US 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
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2025-03-13 US disclosed
WO-2024107658-A2 INHIBITORS OF TYK2 VYRNWY THERAPEUTICS, INC. (US) 2024-05-23 WO disclosed
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-31 US disclosed
US-20230052191-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2023-02-16 US disclosed
US-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-04-19 US disclosed
US-20200369658-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-11-26 US disclosed
US-10774078-B2 Compounds MISSION THERAPEUTICS LTD (GB) 2020-09-15 US disclosed
EP-3197883-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2020-03-18 EP disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
US-5468871-A Catalytic N-alkylation BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
EP-0628563-A1 Process for the preparation of N-substituted pyrazoles BASF Aktiengesellschaft (DE) 1994-12-14 EP disclosed
CN-1006386-B PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER SHINETSU CHEM IND CO (JP) 1990-01-10 CN disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed
CN-85107531-A Process for producing vinyl chloride polymer 1987-01-21 CN disclosed
EP-0172427-A2 Process for production of vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1986-02-26 EP 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 (7 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-11304929-B2 Tosylacetate based compounds and derivatives thereof as PHGDH inhibitors PHGDH, G6PD, PHPT1 NPC1 1995/4885RAB9A 270/4885ALDH1A1 168/4885
US-10774078-B2 Compounds UCHL1, UCHL3, UCHL5 NPC1 2436/4885RAB9A 519/4885ALDH1A1 300/4885
US-20250084074-A1 SUBSTITUTED HETEROCYCLES AS HSET INHIBITORS VHL, CDKN1A, CCNI NPC1 1041/4885RAB9A 3454/4885ALDH1A1 1680/4885
US-20230271941-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 NPC1 859/4885RAB9A 876/4885ALDH1A1 4654/4885
US-20200369658-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 NPC1 2546/4885RAB9A 480/4885ALDH1A1 285/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 NPC1 4197/4885RAB9A 20/4885ALDH1A1 2972/4885
US-20230052191-A1 NOVEL COMPOUNDS UCHL1, UCHL3, UCHL5 NPC1 2546/4885RAB9A 480/4885ALDH1A1 285/4885

“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.