SCHEMBL3576313

SCHEMBL3576313

C/C(CCc1ccncc1)=N\O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.43
ALDH1A1 P00352 2/20 0.42
FFAR1 O14842 1/20 0.39
HRH1 P35367 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 1/20 0.38
NAMPT P43490 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NAAA Q02083 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL1678505 1.00 HTT (0.45) HTTLOXL2ALDH1A1FFAR1HRH1
SCHEMBL3663329 0.79 HTT (0.47) HTTLOXL2ALDH1A1KDM4ETDP1
SCHEMBL2551920 0.79 ALDH1A1 (0.57) ALDH1A1FFAR1KDM4ERECQLLMNA
SCHEMBL5593707 0.79 ALDH1A1 (0.57) ALDH1A1FFAR1KDM4ERECQLLMNA
SCHEMBL2551922 0.79 ALDH1A1 (0.57) ALDH1A1FFAR1KDM4ERECQLLMNA
SCHEMBL9535757 0.79 LOXL2 (0.50) HTTLOXL2ALDH1A1FFAR1HRH1
SCHEMBL10613622 0.78 ESR1 (0.52) ALDH1A1KDM4ERECQLLMNATDP1
Water SCHEMBL27851978 0.78 ALDH1A1 (0.55) ALDH1A1FFAR1KDM4ERECQLLMNA
SCHEMBL362859 0.78 CYP1A2 (0.45) ALDH1A1FFAR1KDM4ERECQLTDP1
SCHEMBL27207826 0.76 LOXL2 (0.48) HTTLOXL2ALDH1A1FFAR1HRH1

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-7741346-B2 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-22 US disclosed
US-20080161270-A1 Angiogenesis inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2008-07-03 US disclosed
US-20050014800-A1 Angiogenesis inhibitor SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1457205-A1 ANGIOGENESIS INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 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-20080161270-A1 Angiogenesis inhibitors FLT4, KDR, FLT1 HTT 4594/4885LOXL2 2576/4885ALDH1A1 1014/4885
US-20050014800-A1 Angiogenesis inhibitor FLT4, KDR, FLT1 HTT 4617/4885LOXL2 2581/4885ALDH1A1 1011/4885

“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.