SCHEMBL4643735

SCHEMBL4643735

CN(C)Cc1cc(N)cc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
HRH3 Q9Y5N1 3/20 0.50
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
GSR P00390 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
NOS1 P29475 3/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL2174853 0.86 ALDH1A1 (0.52) ALDH1A1TSHRHRH3GAALMNA
SCHEMBL20837049 0.84 HRH3 (0.40) ALDH1A1TSHRHRH3GAALMNA
SCHEMBL21779660 0.81 GSR (0.43) ALDH1A1TSHRHRH3GAALMNA
SCHEMBL14832470 0.81 CYP19A1 (0.46) ALDH1A1TSHRLMNAMAPTAOC3
SCHEMBL3386068 0.81 CYP2C19 (0.47) ALDH1A1TSHRHRH3GAALMNA
SCHEMBL2528801 0.80 ALDH1A1 (0.55) ALDH1A1TSHRHRH3GAALMNA
SCHEMBL30950869 0.80 TACR1 (0.40) ALDH1A1TSHRGAALMNAGSR
SCHEMBL788092 0.80 TACR1 (0.40) ALDH1A1TSHRGAALMNAGSR
SCHEMBL248309 0.80 SLC6A4 (0.38) ALDH1A1TSHRHRH3GAALMNA
SCHEMBL57323 0.79 HRH3 (0.64) ALDH1A1TSHRHRH3ALOX15TAAR1

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
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 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 (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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 ALDH1A1 1240/4885TSHR 3758/4885HRH3 4/4885

“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.