SCHEMBL14701732

SCHEMBL14701732

O=Cc1nnn(-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 10/20 0.47
MAPT P10636 5/20 0.47
KMT2A Q03164 3/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RECQL P46063 1/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
NOTUM Q6P988 1/20 0.34
PTGS2 P35354 1/20 0.34
GRM5 P41594 1/20 0.33
MGLL Q99685 1/20 0.33
CPT1A P50416 1/20 0.33

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
SCHEMBL18755000 0.72 NPC1 (0.54) NPC1RAB9AMAPTKMT2APKM
SCHEMBL2895448 0.71 GRM5 (0.45) NPC1RAB9AMAPTKMT2APKM
SCHEMBL2331296 0.70 NPC1 (0.53) NPC1RAB9AMAPTKMT2APKM
SCHEMBL2893751 0.70 FAAH (0.40) GRM5MGLL
SCHEMBL14701733 0.69 PTGS2 (0.49) NPC1RAB9AMAPTKMT2APKM
SCHEMBL2895031 0.68 RXRA (0.39) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL12442424 0.68 P2RX7 (0.42) NPC1RAB9AMAPTKMT2APKM
SCHEMBL2895921 0.67 GRM5 (0.54) MAPTALDH1A1KDM4ENOTUMGRM5
SCHEMBL3954089 0.66 PTGS2 (0.39) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL14701726 0.66 P2RX7 (0.68) RAB9APOLBNOTUMPTGS2

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 NPC1 818/4885RAB9A 1937/4885MAPT 1168/4885

“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.