SCHEMBL7126920

SCHEMBL7126920

Cc1cc(NC(=O)Cc2cc(C(=N)N)ccc2OCc2ccccc2)ccc1C(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX1 Q96LB2 3/20 0.46
LRRK2 Q5S007 6/20 0.45
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
RAB9A P51151 1/20 0.43
PTGER1 P34995 1/20 0.43
F2 P00734 3/20 0.42
F10 P00742 2/20 0.42
PRSS1 P07477 2/20 0.42
F7 P08709 2/20 0.42
P2RX4 Q99571 1/20 0.42
KLK8 O60259 1/20 0.42
KLKB1 P03952 1/20 0.42
KLK1 P06870 1/20 0.42
KLK14 Q9P0G3 1/20 0.42
KLK5 Q9Y337 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
SGMS2 Q8NHU3 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41

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
SCHEMBL7121896 0.87 SGMS2 (0.46) LRRK2CYP11B1CYP11B2RAB9APTGER1
Hydrochloric Acid SCHEMBL5093183 0.80 F10 (0.47) MRGPRX1RAB9AF2F10PRSS1
Hydrochloric Acid SCHEMBL7116807 0.76 SPHK1 (0.49) MRGPRX1F2F10PRSS1F7
SCHEMBL7124379 0.76 ANO1 (0.44) RAB9AF2F10PRSS1KLK1
Hydrochloric Acid SCHEMBL5091274 0.76 P2RX4 (0.53) MRGPRX1F2F10PRSS1F7
Hydrochloric Acid SCHEMBL7527197 0.76 ANO1 (0.43) RAB9AF2F10PRSS1KLK1
Hydrochloric Acid SCHEMBL6939201 0.74 F2 (0.41) MRGPRX1PTGER1F2F10PRSS1
SCHEMBL7370559 0.72 MET (0.41) RAB9APTGER1F10PRSS1P2RX4
SCHEMBL5094227 0.72 MET (0.41) LRRK2RAB9APTGER1F10PRSS1
SCHEMBL5098937 0.71 NPC1 (0.42) MRGPRX1RAB9AF2F10PRSS1

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
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MRGPRX1 2352/4885LRRK2 3640/4885CYP11B1 3122/4885

“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.