SCHEMBL21395966

SCHEMBL21395966

Nc1nc2c(OCc3ccccc3)cc(C=O)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MPO P05164 1/20 0.43
CYP2C19 P33261 1/20 0.41
MGAM O43451 2/20 0.40
GAA P10253 2/20 0.40
SI P14410 2/20 0.40
MGAM2 Q2M2H8 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
LTA4H P09960 1/20 0.39

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
SCHEMBL21395719 0.85 MAOA (0.46) CYP3A4MAOAMAOBNPC1MAPT
SCHEMBL23628947 0.81 TOP2A (0.55) CYP3A4MPOCYP2C19MAP4K4TOP2A
SCHEMBL23628946 0.80 CYP3A4 (0.51) CYP3A4CYP2C19MAP4K4TOP2AKCNH2
SCHEMBL19783575 0.79 CYP3A4 (0.60) CYP3A4MAOBNPC1RAB9AMPO
SCHEMBL30189770 0.79 CYP3A4 (0.60) CYP3A4MAOBNPC1RAB9AMPO
SCHEMBL23628943 0.78 CYP3A4 (0.53) CYP3A4MAOBMPOMGAMGAA
SCHEMBL23628929 0.77 CYP3A4 (0.56) CYP3A4MAPTCYP2C19MAP4K4TOP2A
SCHEMBL5946234 0.77 ERN1 (0.47) MAPTSMN1; SMN2
SCHEMBL5946231 0.74 MAOA (0.43) MAOAMAOBNPC1RAB9ASMN1; SMN2
SCHEMBL20305445 0.74 CYP3A4 (0.60) CYP3A4MAOBMAPTCYP2C19MGAM

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 CYP3A4 15/4885MAOA 361/4885MAOB 550/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 CYP3A4 18/4885MAOA 295/4885MAOB 507/4885

“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.