SCHEMBL6915880

SCHEMBL6915880

CNCc1ccc(C)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.46
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NOS1 P29475 4/20 0.37
NOS3 P29474 2/20 0.37
GAA P10253 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
NPC1 O15118 1/20 0.36
NR2F2 P24468 1/20 0.36
NOD2 Q9HC29 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NCF1 P14598 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
SCHEMBL9300840 0.83 HTR7 (0.42) HTR7ALDH1A1LOXL2MAPTKDM4E
SCHEMBL31672808 0.83 HTR7 (0.42) HTR7ALDH1A1LOXL2MAPTKDM4E
SCHEMBL5398528 0.83 LOXL2 (0.43) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL17704659 0.82 ESR1 (0.48) HPGDALDH1A1MAPTKDM4ECYP3A4
Hydrochloric Acid SCHEMBL5385071 0.81 MAPT (0.46) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL1253514 0.80 HTR7 (0.50) HTR7LOXL2MAPTKDM4ECYP3A4
SCHEMBL1363941 0.78 CYP1A2 (0.44) HTR7LOXL2MAPTKDM4ECYP3A4
Hydrochloric Acid SCHEMBL1000376 0.77 SLC2A1 (0.41) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL24456428 0.76 ALDH1A1 (0.54) HPGDALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL24456289 0.76 NPC1 (0.48) HPGDALDH1A1MAPTKDM4ESMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 US disclosed
EP-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 EP disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 EP 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 (2 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 HTR7 198/4885HPGD 3802/4885ALDH1A1 3228/4885
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 HTR7 198/4885HPGD 3802/4885ALDH1A1 3228/4885

“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.