SCHEMBL259707

SCHEMBL259707

CNc1nc(-c2ccccc2)cs1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.69
NPC1 O15118 8/20 0.69
AR P10275 1/20 0.68
MEN1 O00255 9/20 0.66
KMT2A Q03164 9/20 0.66
MAPT P10636 6/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
GFER P55789 2/20 0.66
TSHR P16473 1/20 0.61
GAA P10253 3/20 0.61
LMNA P02545 1/20 0.61
ALOX12 P18054 1/20 0.61
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
ALDH1A1 P00352 2/20 0.58
STAT1 P42224 1/20 0.58
ATM Q13315 1/20 0.58
KDM4E B2RXH2 1/20 0.58
ALOX5 P09917 2/20 0.57

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
SCHEMBL19360670 0.96 NPC1 (0.70) RAB9ANPC1ARMEN1KMT2A
SCHEMBL1915608 0.86 AR (0.56) RAB9ANPC1ARMEN1KMT2A
SCHEMBL2573440 0.85 RAB9A (0.69) RAB9ANPC1ARMEN1KMT2A
SCHEMBL13513637 0.83 RAB9A (0.72) RAB9ANPC1ARMEN1KMT2A
Bromide SCHEMBL3252572 0.83 RAB9A (0.67) RAB9ANPC1ARMEN1KMT2A
SCHEMBL24590354 0.81 NPC1 (0.70) RAB9ANPC1ARMEN1KMT2A
SCHEMBL8172023 0.81 RAB9A (0.70) RAB9ANPC1ARMEN1KMT2A
SCHEMBL8171460 0.81 MAPT (0.74) RAB9ANPC1ARMEN1KMT2A
SCHEMBL14048212 0.81 NPC1 (1.00) RAB9ANPC1ARMEN1KMT2A
SCHEMBL11151890 0.81 NPC1 (0.70) RAB9ANPC1ARMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. 2017-01-05 US claimed
US-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS DUKE UNIVERSITY 2016-08-04 US claimed
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF CHAPERONE THERAPEUTICS, INC. (US) 2013-10-10 US claimed
EP-2637658-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF Duke University (US) 2013-09-18 EP claimed
WO-2012064715-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2012-05-18 WO claimed
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF DUKE UNIVERSITY (US) 2011-05-12 US claimed
EP-3800186-B1 CYANOPYRROLIDINES AS DUB INHIBITORS FOR THE TREATMENT OF CANCER MISSION THERAPEUTICS LTD (GB) 2024-10-02 EP disclosed
CN-118344304-A Ibuprofen derivative and preparation method and application thereof 华南农业大学 2024-07-16 CN disclosed
CN-112218865-B Pteridinone compounds and uses thereof 沃泰克斯药物股份有限公司 2024-03-12 CN disclosed
CN-117486872-A Mechanical ball milling synthesis method of aminothiazole compound 浙江工业大学 2024-02-02 CN disclosed
US-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases MASARYKOVA UNIVERZITA (CZ) 2023-02-21 US disclosed
EP-1048701-B1 Delocalized cationic azo dye for ink jet ink EASTMAN KODAK CO (US) 2004-04-07 EP disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
US-6143061-A COMPRISING WATER, A HUMECTANT, AND A DELOCALIZED CATIONIC AZO DYE DERIVED FROM THE QUATEMIZATION OF A HETEROCYCLIC AZOAMINOTHIAZOLE DYE EASTMAN KODAK COMPANY (US) 2000-11-07 US disclosed
EP-1048701-A1 Delocalized cationic azo dye for ink jet ink EASTMAN KODAK COMPANY (US) 2000-11-02 EP disclosed
US-4143148-A ANTI-ULCER THIAZOLINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1979-03-06 US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 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 (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-20160221958-A1 SUBSTITUTED PYRAZOLES AS HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATORS HSF1, HSP90AB1, HSPBP1 RAB9A 3776/4885NPC1 3262/4885AR 1394/4885
US-11584742-B2 Substituted aminothiazoles as inhibitors of nucleases RNASEH1, DNASE1, FEN1 RAB9A 2879/4885NPC1 3091/4885AR 2071/4885
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK RAB9A 3908/4885NPC1 614/4885AR 784/4885
US-20110112073-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885AR 1181/4885
US-20130267543-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885AR 1181/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 RAB9A 901/4885NPC1 1035/4885AR 4039/4885
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR RAB9A 835/4885NPC1 296/4885AR 1937/4885
US-20170000768-A1 COMPOSITIONS AND METHODS RELATING TO HEAT SHOCK TRANSCRIPTION FACTOR ACTIVATING COMPOUNDS AND TARGETS THEREOF HSF1, HSP90AB1, HSPBP1 RAB9A 3656/4885NPC1 2279/4885AR 1181/4885

“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.