SCHEMBL4796632

SCHEMBL4796632

Nc1ccccc1-c1ccc(Cc2nnn[nH]2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
NCOA1 Q15788 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IDO1 P14902 2/20 0.35
ADORA3 P0DMS8 1/20 0.32
CYP2E1 P05181 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2A6 P11509 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2B6 P20813 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C8 P10632 1/20 0.31

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
SCHEMBL4796619 0.81 BCAT2 (0.36) NPC1RAB9A
SCHEMBL16936587 0.77
SCHEMBL17766676 0.72 ACACA (0.58) ALDH1A1KDM4ESMN1; SMN2TDP1PPARG
SCHEMBL9057228 0.71 AR (0.43) ALDH1A1SMN1; SMN2L3MBTL1IDO1CYP3A4
SCHEMBL22066854 0.70 ADRA1D (0.45) ALDH1A1KDM4ESMN1; SMN2NPC1GAA
SCHEMBL1618043 0.67 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1PPARG
SCHEMBL16600088 0.66 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2TDP1PPARG
SCHEMBL3277728 0.66 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2TDP1PPARG
SCHEMBL30940314 0.66 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2TDP1PPARG
SCHEMBL4168658 0.65 TSHR (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394835-B2 Aromatic compounds and their use in medical applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2013-03-12 US disclosed
US-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications REVOTAR BIOPHARMACEUTICALS AG (DE) 2008-08-28 US disclosed
EP-1940372-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS Revotar Biopharmaceuticals AG (DE) 2008-07-09 EP disclosed
WO-2007039113-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN MEDICAL APPLICATIONS REVOTAR BIOPHARMACEUTICALS AG (DE) 2007-04-12 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-20080207639-A1 Novel Aromatic Compounds and Their Use in Medical Applications SELP, SELL, SELE ALDH1A1 239/4885KDM4E 2771/4885SMN1; SMN2 3457/4885

“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.