SCHEMBL3852750

SCHEMBL3852750

Cc1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.44
GPR55 Q9Y2T6 1/20 0.44
KDM4E B2RXH2 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 2/20 0.40
GFER P55789 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 1/20 0.40
FGFR1 P11362 1/20 0.40
MAPK1 P28482 1/20 0.39
MEN1 O00255 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
SCHEMBL3047128 0.88 NPC1 (0.37) NPC1RAB9AMAPTLMNATP53
SCHEMBL3040073 0.88 NPC1 (0.37) NPC1RAB9AMAPTLMNATP53
SCHEMBL3054809 0.80 KDM4E (0.36) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL3047005 0.79 ALDH1A1 (0.35) NPC1RAB9AMAPTLMNATP53
SCHEMBL3051285 0.79 NPC1 (0.32) NPC1RAB9AMAPTLMNATP53
SCHEMBL3050504 0.79 NPC1 (0.32) NPC1RAB9AMAPTLMNATP53
SCHEMBL10139085 0.78 NPC1 (0.46) NPC1RAB9AMAPTTP53ALDH1A1
SCHEMBL3044292 0.78 FGFR1 (0.36) NPC1RAB9AMAPTLMNATP53
SCHEMBL3050515 0.78 FGFR1 (0.36) NPC1RAB9AMAPTLMNATP53
SCHEMBL2794301 0.78 HTT (0.48) LMNAHTTSMN1; SMN2POLBKMT2A

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-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 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 (1 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 NPC1 3216/4885RAB9A 1180/4885MAPT 3447/4885

“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.