SCHEMBL5371401

SCHEMBL5371401

COc1ccccc1-c1cn(C2CCN(C(=O)CCC(=O)c3cc(Br)c(N)c(Br)c3)CC2)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD11B1 P28845 1/20 0.38
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CALCRL Q16602 3/20 0.36
PKM P14618 1/20 0.36
PIK3CA P42336 1/20 0.36
RAB9A P51151 1/20 0.35

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
SCHEMBL5365917 0.86 TNKS (0.53) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5378100 0.85 TNKS (0.52) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5378557 0.84 TNKS (0.44) TNKSHRH3SMN1; SMN2CALCRLDRD2
SCHEMBL5375100 0.83 KMT2A (0.45) TNKSMAPTHRH3SMN1; SMN2CALCRL
SCHEMBL5092841 0.83 HSD11B1 (0.37) TNKSALDH1A1HSD11B1CALCRLPKM
SCHEMBL5092847 0.83 HSD11B1 (0.37) TNKSALDH1A1HSD11B1CALCRLPKM
SCHEMBL5374180 0.83 TNKS (0.46) TNKSSMN1; SMN2CALCRLDRD2DRD4
SCHEMBL5378040 0.80 TNKS (0.41) TNKSHRH3SMN1; SMN2CALCRLRAB9A
SCHEMBL5371693 0.80 TNKS (0.41) TNKSHRH3SMN1; SMN2CALCRLDRD2
SCHEMBL5365963 0.79 CTSS (0.47) TNKSHSD11B1HRH3SMN1; SMN2CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 TNKS 2480/4885ALDH1A1 425/4885MAPT 1677/4885

“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.