SCHEMBL5885658

SCHEMBL5885658

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.39
EGLN1 Q9GZT9 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ROCK2 O75116 1/20 0.36
F2 P00734 3/20 0.35
F3 P13726 1/20 0.35
PPARG P37231 1/20 0.35
PLG P00747 2/20 0.34
PLAU P00749 2/20 0.34
PLAT P00750 1/20 0.34
KLK1 P06870 1/20 0.34
KLK5 Q9Y337 1/20 0.34
PROC P04070 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5885670 0.89 F10 (0.37) F10EGLN1GFERSMN1; SMN2HTT
SCHEMBL5885572 0.88 F3 (0.45) F10EGLN1ALOX5EPHX2F2
SCHEMBL5885661 0.85 PLAU (0.36) F10EGLN1GFERF2PPARG
SCHEMBL5886148 0.85 F10 (0.39) F10EGLN1F2PPARGPLG
Hydrochloric Acid SCHEMBL5885701 0.84 PLAU (0.36) F10EGLN1GFERF2PPARG
Hydrochloric Acid SCHEMBL5886140 0.84 F10 (0.38) F10EGLN1F2PPARGPLG
SCHEMBL5885753 0.84 F10 (0.35) F10EGLN1ALOX5EPHX2F2
SCHEMBL5888737 0.84 GFER (0.46) EGLN1GFERSMN1; SMN2HTTL3MBTL1
SCHEMBL5885861 0.84 PPARG (0.38) F10EGLN1ALOX5EPHX2F2
Hydrochloric Acid SCHEMBL5886017 0.83 PPARG (0.38) F10EGLN1ALOX5EPHX2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 F10 16/4885EGLN1 2190/4885GFER 1487/4885

“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.