SCHEMBL3914366

SCHEMBL3914366

COC(=O)c1cc(-c2ccc(Cl)cc2)oc1C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.70
RAB9A P51151 3/20 0.70
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
ALDH1A1 P00352 7/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 2/20 0.50
S100A4 P26447 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ABL1 P00519 1/20 0.46
HPGD P15428 3/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL3105153 0.85 NPC1 (0.67) NPC1RAB9AALDH1A1PKMSMN1; SMN2
SCHEMBL3091048 0.85 SLC6A4 (0.51) NPC1RAB9ASLC6A4SLC6A3ALDH1A1
SCHEMBL3102333 0.85 ALDH1A1 (0.62) NPC1RAB9AALDH1A1PKMSMN1; SMN2
SCHEMBL1597664 0.85 RAB9A (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL2665747 0.84 ALDH1A1 (0.61) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3101891 0.84 ALDH1A1 (0.57) NPC1RAB9ASLC6A3ALDH1A1SMN1; SMN2
SCHEMBL25782493 0.84 ABL1 (0.53) NPC1RAB9ASLC6A4SLC6A3ALDH1A1
SCHEMBL1326529 0.83 NPC1 (1.00) NPC1RAB9AALDH1A1PKMSMN1; SMN2
SCHEMBL892161 0.83 NPC1 (0.77) NPC1RAB9AALDH1A1PKMSMN1; SMN2
SCHEMBL4117707 0.83 NPC1 (0.77) NPC1RAB9AALDH1A1PKMSMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594555-B1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA PHARM CO LTD (JP) 2018-03-07 EP disclosed
US-9200008-B2 Heterocyclic compound and p27Kip1 degradation inhibitor ASKA PHARMACEUTICAL CO., LTD. (JP) 2015-12-01 US disclosed
EP-2594555-A1 HETEROCYCLIC COMPOUND, AND p27 KIP1 DEGRADATION INHIBITOR ASKA Pharmaceutical Co., Ltd. (JP) 2013-05-22 EP disclosed
US-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-28 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 US disclosed
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED INTELLECTUAL PROPERTY DEPARTMENT (JP) 2006-05-11 US disclosed
EP-1535915-A1 FURAN OR THIOPHENE DERIVATIVE AND MEDICINAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-01 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 (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-20130079306-A1 HETEROCYCLIC COMPOUND AND p27Kip1 DEGRADATION INHIBITOR CDKN1A, SKP2, CCNI NPC1 3743/4885RAB9A 2990/4885SLC6A4 3530/4885
US-20060100261-A1 Furan or thiopene derivative and medicinal use thereof TXN2, CYP11B2, CYP11B1 NPC1 679/4885RAB9A 4758/4885SLC6A4 3032/4885

“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.