SCHEMBL21395719

SCHEMBL21395719

O=Cc1cc(OCc2ccccc2)c2nc(Cl)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TACR2 P21452 1/20 0.43
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
PTGER1 P34995 4/20 0.39
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL21395966 0.85 CYP3A4 (0.52) MAOAMAOBMAPTL3MBTL1NPC1
SCHEMBL19783755 0.79 ALDH1A1 (0.48) MAOBTOP2AALDH1A1CYP3A4KMT2A
SCHEMBL30189837 0.79 ALDH1A1 (0.48) MAOBTOP2AALDH1A1CYP3A4KMT2A
SCHEMBL5946234 0.77 ERN1 (0.47) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5946231 0.74 MAOA (0.43) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4045055 0.72 MAOA (0.57) MAOAMAOBMAPTL3MBTL1NPC1
SCHEMBL6781405 0.72 SMN1; SMN2 (0.51) MAOAMAOBMAPTL3MBTL1NPC1
SCHEMBL30821655 0.72 SMN1; SMN2 (0.51) MAOAMAOBMAPTL3MBTL1NPC1
SCHEMBL560188 0.72 MAOA (0.56) MAOAMAOBMAPTL3MBTL1NPC1
SCHEMBL21395894 0.72 F2RL3 (0.53) TOP2A

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 2 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

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 MAOA 361/4885MAOB 550/4885MAPT 1432/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAOA 295/4885MAOB 507/4885MAPT 1155/4885

“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.