SCHEMBL6215488

SCHEMBL6215488

COc1ccc(C(=O)NCC(NC(=O)c2ccc(Cl)c(N)c2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.47
UTS2R Q9UKP6 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
F10 P00742 1/20 0.46
GAA P10253 3/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
ROCK2 O75116 2/20 0.45
ROCK1 Q13464 1/20 0.45

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
SCHEMBL6213961 0.84 ALDH1A1 (0.60) SMN1; SMN2UTS2RALDH1A1CYP3A4GAA
SCHEMBL6215659 0.84 ALDH1A1 (0.60) SMN1; SMN2UTS2RALDH1A1CYP3A4GAA
SCHEMBL6214067 0.82 UTS2R (0.57) MAPTUTS2RALDH1A1CYP3A4GAA
SCHEMBL6214070 0.82 UTS2R (0.57) MAPTUTS2RALDH1A1CYP3A4GAA
SCHEMBL6218266 0.81 TAOK1 (0.55) SMN1; SMN2ALDH1A1CYP3A4GAASLC6A9
SCHEMBL6218271 0.81 TAOK1 (0.55) SMN1; SMN2ALDH1A1CYP3A4GAASLC6A9
SCHEMBL6369720 0.81 RAB9A (0.57) MAPTLMNAALDH1A1CYP3A4GAA
SCHEMBL6369727 0.81 RAB9A (0.57) MAPTLMNAALDH1A1CYP3A4GAA
SCHEMBL10324394 0.79 MAPK1 (0.54) KDM4ESMN1; SMN2LMNAF10GAA
SCHEMBL10322445 0.79 ROCK1 (0.56) KDM4EGAAROCK2ROCK1

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-1192132-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP disclosed
US-6855715-B1 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-02-15 US disclosed
US-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines LIEBESCHUETZ JOHN WALTER (GB) 2005-02-10 US disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 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 (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-20050032790-A1 For example, 1-(2-Amino-4-chlorobenzoyl-D-phenylglycinyl)-4,4'-bispiperidine; for treatment of thrombosis, emphysema, cirrhosis; antiarthritic agents, anticancer agents, antihistamines SERPINB1, SERPINE1, SERPINH1 KDM4E 712/4885SMN1; SMN2 4484/4885MAPT 4609/4885

“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.