SCHEMBL14701703

SCHEMBL14701703

N/C(C=O)=C\Nc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 5/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
STAT1 P42224 1/20 0.41
KDM4E B2RXH2 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TGM2 P21980 1/20 0.39
APP P05067 1/20 0.39
GAA P10253 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
SCHEMBL18754684 0.76 ALDH1A1 (0.50) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL90440 0.72 ALDH1A1 (0.56) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13991577 0.71 ALDH1A1 (0.43) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22876851 0.70 ALDH1A1 (0.40) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL27616318 0.70 ALDH1A1 (0.54) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL19192553 0.69 RAB9A (0.49) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL28813740 0.69 ALDH1A1 (0.42) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL22307316 0.68 KMT2A (0.58) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14701704 0.68 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
Formic Acid SCHEMBL27817111 0.67 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1MEN1KMT2A

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 ALDH1A1 4122/4885RAB9A 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.