SCHEMBL464409

SCHEMBL464409

CCc1ccc2sc(C)nc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.72
SMN1; SMN2 Q16637 6/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
PKM P14618 2/20 0.53
TP53 P04637 2/20 0.53
GAA P10253 2/20 0.50
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NFKB1 P19838 1/20 0.42

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
SCHEMBL31359187 1.00 HSD17B10 (0.72) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8185281 0.86 HSD17B10 (0.68) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10271447 0.85 SMN1; SMN2 (0.67) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL617613 0.84 HSD17B10 (0.70) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13156344 0.84 HSD17B10 (0.70) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3436150 0.84 HSD17B10 (1.00) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2756574 0.81 NPC1 (0.66) HSD17B10SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL8230468 0.81 HSD17B10 (0.66) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20246815 0.81 HSD17B10 (0.66) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3813803 0.81 HSD17B10 (0.76) HSD17B10SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
EP-3672958-B1 ANNULATED GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2023-08-02 EP disclosed
EP-3724188-B1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2023-06-07 EP disclosed
US-10683288-B2 Epothilone B and dictyostatin analogs, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-06-16 US disclosed
EP-3247702-B1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2020-04-22 EP disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 US disclosed
US-10308595-B2 Albicidin derivatives, their use and synthesis Technische Universität Berlin (DE) 2019-06-04 US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 US disclosed
US-20180215748-A1 EPOTHILONE B AND DICTYOSTATIN ANALOGS, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-08-02 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20080021024-A1 Metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-01-24 US disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
WO-2007139860-A2 HETEROBICYLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
WO-2007139856-A2 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, INC. (US) 2007-12-06 WO disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-07-26 US disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 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 (11 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 HSD17B10 1790/4885SMN1; SMN2 4368/4885NPC1 3130/4885
US-10308595-B2 Albicidin derivatives, their use and synthesis MB, ALB, BCAT2 HSD17B10 3352/4885SMN1; SMN2 1226/4885NPC1 4471/4885
US-10683288-B2 Epothilone B and dictyostatin analogs, their preparation and use DHPS, EPOR, THPO HSD17B10 830/4885SMN1; SMN2 4152/4885NPC1 3505/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS HSD17B10 2002/4885SMN1; SMN2 4141/4885NPC1 81/4885
US-20180215748-A1 EPOTHILONE B AND DICTYOSTATIN ANALOGS, THEIR PREPARATION AND USE DHPS, EPOR, THPO HSD17B10 830/4885SMN1; SMN2 4152/4885NPC1 3505/4885
US-20070173519-A1 Pyrazolopyrimidine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAPKAPK5, MAPKAPK3 HSD17B10 3989/4885SMN1; SMN2 2631/4885NPC1 3958/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HSD17B10 1526/4885SMN1; SMN2 4840/4885NPC1 29/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA HSD17B10 1673/4885SMN1; SMN2 827/4885NPC1 3709/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA HSD17B10 1673/4885SMN1; SMN2 827/4885NPC1 3709/4885
US-20080021024-A1 Metalloprotease inhibitors MMP2, MMP9, MMP3 HSD17B10 631/4885SMN1; SMN2 3934/4885NPC1 1618/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 HSD17B10 501/4885SMN1; SMN2 4594/4885NPC1 2374/4885

“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.