SCHEMBL3000890

SCHEMBL3000890

N=C(N)c1ccc(O)c(C(Cc2ccccc2)C(=O)Nc2ccc(C(=O)N3CCCC3)c(C(F)(F)F)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F9 P00740 16/20 0.45
F10 P00742 16/20 0.45
PRSS1 P07477 4/20 0.44
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
F2 P00734 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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 SCHEMBL6841650 0.99 F9 (0.45) F9F10PRSS1PRSS2PRSS3
SCHEMBL6819736 0.91 F10 (0.43) F9F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6818880 0.91 F10 (0.43) F9F10PRSS1PRSS2PRSS3
SCHEMBL6819055 0.89 F10 (0.44) F9F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL6841506 0.88 F10 (0.44) F9F10PRSS1PRSS2PRSS3
SCHEMBL6820142 0.88 CYP2C9 (0.39) SMN1; SMN2
SCHEMBL2995346 0.84 F10 (0.44) F9F10PRSS1F2SMN1; SMN2
Hydrochloric Acid SCHEMBL7524480 0.84 F10 (0.43) F9F10PRSS1F2SMN1; SMN2
Hydrochloric Acid SCHEMBL6818983 0.82 F9 (0.43) F9F10PRSS1PRSS2PRSS3
SCHEMBL7116247 0.78 F10 (0.52) F10PRSS1F2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US claimed
WO-2004013115-A2 CARBOXAMIDES, PRODUCTION AND USE THEREOF AS MEDICAMENTS____ BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-02-12 WO claimed
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases EISERT WOLFGANG 2009-03-19 US disclosed
US-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors EISERT WOLFGANG 2009-02-19 US disclosed
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-05 US disclosed
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US disclosed
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 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 (5 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-20090048173-A1 Use Of Dipyridamole For Treatment Of Resistance To Platelet Inhibitors ANXA5, F5, ANXA3 F9 33/4885F10 112/4885PRSS1 333/4885
US-20090075949-A1 Use of dipyridamole in combination with antithrombotics for treatment and prevention of thromboembolic diseases PEPD, PLAT, TFPI F9 20/4885F10 51/4885PRSS1 109/4885
US-20100184729-A1 New Pharmaceutical Compositions for Treatment of Thrombosis PROC, F12, SERPINC1 F9 40/4885F10 6/4885PRSS1 158/4885
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 F9 10/4885F10 13/4885PRSS1 317/4885
US-20060222640-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF THROMBOSIS PROC, F12, SERPINC1 F9 40/4885F10 6/4885PRSS1 158/4885

“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.