SCHEMBL6281613

SCHEMBL6281613

CSc1cccc2nc(S)oc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ELANE P08246 2/20 0.37
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
RXFP1 Q9HBX9 3/20 0.33
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL16562894 0.80 ELANE (0.44) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL6489417 0.76 ELANE (0.41) ALDH1A1CYP1A2ELANE
SCHEMBL9304178 0.72 ACHE (0.43) ALDH1A1MAPTCYP1A2ADORA3ADORA2A
SCHEMBL5043562 0.72 PSMB8 (0.56) ALDH1A1HPGDCYP1A2MAPK1ELANE
SCHEMBL5523096 0.72 GABRP (0.41) ALDH1A1MAPTELANERAB9ANPSR1
SCHEMBL6280579 0.71 ELANE (0.37) ALDH1A1MAPTTSHRELANELMNA
SCHEMBL9306356 0.71 TDP1 (0.36) KDM4EALDH1A1MAPTHPGDADORA3
SCHEMBL1121340 0.71 CYP2A6 (0.45) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL6275934 0.69 MTNR1A (0.38)
SCHEMBL6283319 0.69

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-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 KDM4E 1460/4885ALDH1A1 307/4885MAPT 1164/4885

“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.