SCHEMBL19783656

SCHEMBL19783656

COC(=O)C1(C(O)c2cc(OC)cc3sc(Cl)nc23)CCC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CSNK1D P48730 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ATAD2 Q6PL18 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
PPARA Q07869 3/20 0.30
CASP2 P42575 1/20 0.30
DYRK1A Q13627 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL21379620 0.90 KMT2A (0.34) USP9XNPC1RAB9APOLBALDH1A1
SCHEMBL19783802 0.87 CYP3A4 (0.36) USP9XNPC1RAB9AALDH1A1KDM4E
SCHEMBL30189793 0.81 KMT2A (0.33) ALDH1A1KMT2A
SCHEMBL19783795 0.81 KMT2A (0.33) ALDH1A1KMT2A
SCHEMBL19782704 0.80 ALDH1A1 (0.32) ALDH1A1PPARAKMT2A
SCHEMBL21395713 0.78 MAPT (0.39) USP9XNPC1RAB9APOLBALDH1A1
SCHEMBL21379691 0.77 NPC1 (0.34) NPC1RAB9APOLBALDH1A1CSNK1D
SCHEMBL19782674 0.73 KMT2A (0.33) ALDH1A1KMT2A
SCHEMBL19783511 0.71 KMT2A (0.38) POLBALDH1A1PPARAKMT2A
SCHEMBL19783011 0.70 ALDH1A1 (0.33) NPC1RAB9APOLBALDH1A1CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 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 (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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 USP9X 2835/4885NPC1 2639/4885RAB9A 667/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 USP9X 2975/4885NPC1 2194/4885RAB9A 748/4885

“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.