SCHEMBL4243184

SCHEMBL4243184

O=C(O)c1cccc2onnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 3/20 0.41
IDO1 P14902 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 5/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DHODH Q02127 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HMGB1 P09429 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL30075092 0.81
SCHEMBL28966793 0.76 CYP1A2 (0.35) ALDH1A1ALOX15IDO1MAOAMAOB
SCHEMBL984268 0.70 PIN1 (0.52) ALDH1A1ALOX15IDO1MAOAMAOB
Hydrochloric Acid SCHEMBL27755478 0.69 PIN1 (0.51) ALDH1A1ALOX15IDO1MAOAMAOB
SCHEMBL4791688 0.69 MAOB (0.50) ALDH1A1ALOX15IDO1MAOAMAOB
SCHEMBL28964474 0.69 RAB9A (0.34) ALDH1A1MAOBKDM4ECA12CA1
Hydrochloric Acid SCHEMBL27928599 0.69 PIN1 (0.51) ALDH1A1ALOX15IDO1MAOAMAOB
SCHEMBL10425447 0.69 ALDH1A1 (0.43) ALDH1A1ALOX15IDO1MAOAMAOB
SCHEMBL27755564 0.69 PIN1 (0.51) ALDH1A1ALOX15IDO1MAOAMAOB
SCHEMBL4786290 0.69 ALDH1A1 (0.33) ALDH1A1TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1381366-B9 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-10-21 EP disclosed
EP-1381366-B1 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-04-22 EP disclosed
EP-1381366-A4 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-02-16 EP disclosed
US-6825201-B2 ANTIVIRAL ACTIVITY; TREATMENT OF HIV AND AIDS BRISTOL-MYERS SQUIBB COMPANY 2004-11-30 US disclosed
EP-1381366-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-21 EP disclosed
US-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-05-22 US disclosed
WO-2002085301-A2 INDOLE, AZAINDOLE AND RELATED HETEROCYCLIC AMIDOPIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-31 WO 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-20030096825-A1 Indole, azaindole and related heterocyclic amidopiperazine derivatives IDO1, IDO2, INMT ALDH1A1 3050/4885ALOX15 133/4885IDO1 1/4885

“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.