SCHEMBL1004842

SCHEMBL1004842

Cn1c2c(c3ccc(Br)cc31)/C(=N/O)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
PPARG P37231 1/20 0.45
KMT2A Q03164 1/20 0.45
NCOA2 Q15596 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPK1 P28482 3/20 0.39
TSHR P16473 1/20 0.39
UBE2N P61088 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP7 P55210 1/20 0.39
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
KDM4E B2RXH2 2/20 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
SCHEMBL1004843 1.00 MAPT (0.45) MAPTMEN1PPARGKMT2ANCOA2
SCHEMBL839 0.80 MAPK1 (0.52) MAPTMAPK1TSHRUBE2NALDH1A1
SCHEMBL838 0.80 MAPK1 (0.52) MAPTMAPK1TSHRUBE2NALDH1A1
SCHEMBL1004345 0.79 ALDH1A1 (0.41) MAPTMAPK1ALDH1A1HSD17B10HPGD
SCHEMBL12927720 0.79 ALDH1A1 (0.38) MAPTALDH1A1HSD17B10HPGDPOLB
SCHEMBL1005743 0.78 MAPT (0.60) MAPTMEN1PPARGKMT2ANCOA2
SCHEMBL1005742 0.78 MAPT (0.60) MAPTMEN1PPARGKMT2ANCOA2
SCHEMBL1004799 0.75 MAPK1 (0.41) MAPTMEN1PPARGKMT2ANCOA2
SCHEMBL1004801 0.75 MAPK1 (0.41) MAPTMEN1PPARGKMT2ANCOA2
SCHEMBL9966179 0.72 ALOX5 (0.53) MAPTMEN1PPARGKMT2ANCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
US-8637501-B2 Azinone-substituted azepino[b]indole and pyrido-pyrrolo-azepine MCH-1 antagonists, methods of making, and use thereof ALBANY MOLECULAR RESEARCH, INC. (US) 2014-01-28 US disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
EP-2448585-B1 AZINONE-SUBSTITUTED AZEPINO[B]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RES INC (US) 2014-01-01 EP disclosed
US-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-06 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-20110003793-A1 AZINONE-SUBSTITUTED AZEPINO[b]INDOLE AND PYRIDO-PYRROLO-AZEPINE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, HTR1E MAPT 3970/4885MEN1 984/4885PPARG 2453/4885

“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.