SCHEMBL19782745

SCHEMBL19782745

COC(=O)c1cc(OC)cc2sc(Br)nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
DYRK1A Q13627 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP3A4 P08684 2/20 0.41
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 3/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL20952340 0.87 KMT2A (0.43) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL19783357 0.86 CASP3 (0.35) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL21395766 0.85 NPC1 (0.38) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL8781327 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL19782407 0.84 CYP3A4 (0.47) SMN1; SMN2CYP1A2CYP2C19CYP3A4KDM4E
SCHEMBL5415100 0.80 DYRK1A (0.52) NPC1RAB9ASMN1; SMN2DYRK1ACYP1A2
SCHEMBL19782939 0.74 F2RL3 (0.43) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL19782620 0.74 F2RL3 (0.45) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL19782968 0.74 CISD2 (0.41) NPC1RAB9ADYRK1AKMT2AKDM4E
SCHEMBL30189726 0.73 L3MBTL1 (0.50) SMN1; SMN2CYP1A2KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 CN disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
EP-3704114-B1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-11-23 EP disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3704114-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
CN-111278821-A Spiro compounds as farnesoid X receptor modulators 百时美施贵宝公司 2020-06-12 CN disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
US-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2019-05-02 US disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO 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-20190127362-A1 SPIROCYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS NR1H4, FXR1, NR1H2 NPC1 174/4885RAB9A 1848/4885SMN1; SMN2 4433/4885
US-11078198-B2 Spirocyclic compounds as farnesoid X receptor modulators NR1H4, FXR1, NR1H2 NPC1 174/4885RAB9A 1848/4885SMN1; SMN2 4433/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 NPC1 2639/4885RAB9A 667/4885SMN1; SMN2 3677/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 NPC1 2194/4885RAB9A 748/4885SMN1; SMN2 3957/4885

“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.