SCHEMBL13502539

SCHEMBL13502539

NC(=O)n1c(=O)c(-c2ccccc2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ GAA P10253 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ CFTR P13569 2/20 0.54
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ADORA2A P29274 5/20 0.48
▸ ADORA1 P30542 5/20 0.48
▸ ADORA3 P0DMS8 4/20 0.48
▸ ADORA2B P29275 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL3587111 0.81 ALDH1A1 (0.61) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL6890976 0.80 KDM4E (0.56) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL3588982 0.79 ALDH1A1 (0.56) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL13502463 0.78 ALDH1A1 (0.55) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL8219165 0.78 ALDH1A1 (0.55) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL14006985 0.74 ALDH1A1 (1.00) KDM4EALDH1A1GAAHPGDCFTR
SCHEMBL843331 0.74 SMN1; SMN2 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL116004 0.74 NPC1 (0.68) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7394357 0.72 SMN1; SMN2 (0.52) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL28561602 0.72 NPC1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 — — 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-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF NQO1, SIRT5, KEAP1 KDM4E 1814/4885ALDH1A1 2459/4885GAA 942/4885

“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.

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