SCHEMBL5885672

SCHEMBL5885672

C=CCN(C)C(=O)c1ccc(C#CCN(C)c2cccc(C(=N)N)c2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PLAU P00749 2/20 0.34
F10 P00742 3/20 0.33
F2 P00734 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
PLG P00747 1/20 0.31
ASIC3 Q9UHC3 1/20 0.30
MAPK14 Q16539 1/20 0.30
PTPN1 P18031 1/20 0.30

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
Hydrochloric Acid SCHEMBL5885111 0.99 PPARG (0.35) PPARGPLAUF10F2EGLN1
SCHEMBL5885661 0.89 PLAU (0.36) PPARGPLAUF10F2EGLN1
Hydrochloric Acid SCHEMBL5885701 0.88 PLAU (0.36) PPARGPLAUF10F2EGLN1
SCHEMBL5885757 0.87 PLAU (0.35) PPARGPLAUF10F2EGLN1
Hydrochloric Acid SCHEMBL5885795 0.86 PLAU (0.35) PPARGPLAUF10F2EGLN1
SCHEMBL5886148 0.85 F10 (0.39) PPARGPLAUF10F2EGLN1
SCHEMBL5885741 0.84 PPARG (0.37) PPARGEGLN1MAPK14
Hydrochloric Acid SCHEMBL5886140 0.84 F10 (0.38) PPARGPLAUF10F2EGLN1
SCHEMBL5885576 0.84 PPARG (0.37) PPARGPLAUF10F2EGLN1
SCHEMBL5885670 0.84 F10 (0.37) PPARGPLAUF10F2EGLN1

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-1404648-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-04-07 EP claimed
WO-2003101942-A1 AMIDINE SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES WITH AN ANTITHROMBOTIC AND FACTOR XA INHIBITING ACTION BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-11 WO claimed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 US claimed
US-7005437-B2 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2006-02-28 US disclosed
US-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-06 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-20030045712-A1 Substituted aryl and heteroaryl derivatives, the preparation thereof and the use therof as pharmaceutical compositions F2, F12, F3 PPARG 2510/4885PLAU 183/4885F10 16/4885

“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.