SCHEMBL8290973

SCHEMBL8290973

CN(C)Cc1csc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.58
ALDH1A1 P00352 3/20 0.56
SLC6A4 P31645 2/20 0.50
CHRNA7 P36544 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 1/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.43

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
Hydrochloric Acid SCHEMBL8577073 0.84 SMN1; SMN2 (0.48) CYP2A6SMN1; SMN2ALDH1A1SLC6A4CRHBP
SCHEMBL25028208 0.81 CYP2A6 (0.56) CYP2A6SMN1; SMN2ALDH1A1SLC6A4CHRNA7
SCHEMBL21400131 0.80 CYP2A6 (0.54) CYP2A6SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL6309768 0.79 CYP2A6 (0.53) CYP2A6SMN1; SMN2ALDH1A1SLC6A4CHRNA7
SCHEMBL4071403 0.79 LMNA (0.60) SMN1; SMN2ALDH1A1SLC6A4LMNANPY1R
SCHEMBL13780476 0.79 CA1 (0.56) CYP2A6SMN1; SMN2ALDH1A1SLC6A4CHRNA7
SCHEMBL91157 0.78 CYP2A6 (0.67) CYP2A6SMN1; SMN2ALDH1A1CHRNA7CRHBP
SCHEMBL23032162 0.76 SMN1; SMN2 (0.50) CYP2A6SMN1; SMN2ALDH1A1CA1CA2
SCHEMBL2248829 0.75 CYP2A6 (1.00) CYP2A6SMN1; SMN2ALDH1A1CHRNA7CRHBP
SCHEMBL12858767 0.75 SMN1; SMN2 (0.97) CYP2A6SMN1; SMN2ALDH1A1CHRNA7CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-8546358-B2 Method of treating asthma JANSSEN PHARMACEUTICA NV (BE) 2013-10-01 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE HAWKINS MICHAEL J (US) 2012-01-26 US disclosed
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7176320-B2 Benzimidazole derivative TEIJIN LIMITED (JP) 2007-02-13 US disclosed
WO-2005073214-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-11 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 (3 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885SMN1; SMN2 3201/4885ALDH1A1 1606/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885SMN1; SMN2 3201/4885ALDH1A1 1606/4885
US-20120022022-A1 NOVEL INHIBITORS OF CHYMASE CMA1, SERPINB1, TPSAB1 CYP2A6 1090/4885SMN1; SMN2 3201/4885ALDH1A1 1606/4885

“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.