SCHEMBL5885133

SCHEMBL5885133

Cc1cc(C#CCN(C)c2cccc(C(=N)N)c2)ccc1N(C(=O)CC(=O)O)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.35
ACACB O00763 1/20 0.34
F2 P00734 4/20 0.34
PPARG P37231 1/20 0.33
PRSS1 P07477 3/20 0.33
F10 P00742 3/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
LMNA P02545 1/20 0.32
AGTR2 P50052 1/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
GFER P55789 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KMT2A Q03164 1/20 0.31

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 SCHEMBL5885911 0.99 EGLN1 (0.34) EGLN1ACACBF2PPARGPRSS1
SCHEMBL5885378 0.91 F2 (0.34) ACACBF2PPARGPRSS1F10
SCHEMBL5885565 0.91 LMNA (0.42) EGLN1ACACBF2PPARGPRSS1
Hydrochloric Acid SCHEMBL5885784 0.91 F2 (0.34) ACACBF2PPARGPRSS1F10
Hydrochloric Acid SCHEMBL5885231 0.90 LMNA (0.41) EGLN1ACACBF2PPARGPRSS1
SCHEMBL5885586 0.87 F10 (0.37) ACACBF2PRSS1F10PRSS2
Hydrochloric Acid SCHEMBL5885603 0.87 F10 (0.36) ACACBF2PRSS1F10PRSS2
SCHEMBL6563596 0.81 F2 (0.35) F2PRSS1F10PRSS2PRSS3
SCHEMBL5885761 0.77 GRM5 (0.34) EGLN1ACACBPPARGLMNAAGTR2
SCHEMBL5885128 0.76 EGLN1 (0.34) EGLN1F2PPARGF10KDM4E

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 7 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
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 disclosed
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 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 EGLN1 2190/4885ACACB 2639/4885F2 1/4885

“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.