SCHEMBL615975

SCHEMBL615975

COc1cc(OC)c2cnc(-c3ccc(N4CCC(NC(C)C)CC4)cc3)nc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 5/20 0.40
NTSR1 P30989 1/20 0.40
WHR1 P49842 1/20 0.40
DGAT1 O75907 1/20 0.39
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDGFRB P09619 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PDGFRA P16234 1/20 0.38
CASP1 P29466 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TGFBR1 P36897 1/20 0.38

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
SCHEMBL1304918 0.82 MTOR (0.52) NTSR1MAPK1KDM4EALDH1A1CYP1A2
SCHEMBL15328156 0.82 TGFBR1 (0.54) TGFBR1ABL1PIM1
SCHEMBL30459652 0.82 TGFBR1 (0.54) TGFBR1ABL1PIM1
SCHEMBL15328365 0.81 CHRNB2 (0.51) TGFBR1
SCHEMBL617761 0.77 TGFBR1 (0.48) NTSR1MAPK1KDM4EMEN1ALDH1A1
SCHEMBL618561 0.77 MAP4K1 (0.49) NTSR1MEN1KMT2ATGFBR1KDR
SCHEMBL1304390 0.75 PDGFRB (0.51) MAPK1KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL618467 0.75 MEN1 (0.49) MAPK1KDM4EMEN1ALDH1A1MAPT
SCHEMBL378114 0.75 BRD4 (0.51) KDM4EMEN1ALDH1A1MAPTHPGD
SCHEMBL619713 0.74 ACHE (0.49) EHMT2NTSR1MAPK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS HEPALINK (HONG KONG) LIMITED (HK) 2012-02-16 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-20120040954-A1 NOVEL ANTI-INFLAMMATORY AGENTS VCAM1, ICAM1, IL6 EHMT2 2571/4885NTSR1 3565/4885WHR1 1110/4885

“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.