SCHEMBL7127088

SCHEMBL7127088

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
LMNA P02545 2/20 0.47
CYP19A1 P11511 1/20 0.47
P2RX4 Q99571 1/20 0.46
PPIA P62937 1/20 0.44
RORC P51449 3/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
TRPM4 Q8TD43 1/20 0.42
MET P08581 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MCL1 Q07820 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
SCHEMBL7122686 0.89 P2RX4 (0.44) MRGPRX4LMNACYP19A1P2RX4PPIA
SCHEMBL5099764 0.88 MET (0.46) MRGPRX4LMNACYP19A1P2RX4PPIA
SCHEMBL7121896 0.86 SGMS2 (0.46) MRGPRX4CYP19A1PPIA
SCHEMBL7117549 0.83 SPHK1 (0.47) MRGPRX4LMNACYP19A1P2RX4MET
SCHEMBL7121876 0.81 ALDH1A1 (0.49) LMNACYP19A1P2RX4ALDH1A1MAPT
SCHEMBL7076172 0.81 MEN1 (0.45) MRGPRX4LMNACYP19A1P2RX4PPIA
SCHEMBL7561577 0.81 CYP19A1 (0.42) MRGPRX4LMNACYP19A1P2RX4PPIA
SCHEMBL7126958 0.80 MET (0.46) LMNACYP19A1P2RX4CTSVCTSL
SCHEMBL5089227 0.80 RORC (0.45) MRGPRX4LMNACYP19A1P2RX4PPIA
SCHEMBL8409836 0.79 MRGPRX4 (0.56) MRGPRX4MCL1

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 MRGPRX4 3149/4885LMNA 1147/4885CYP19A1 1130/4885

“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.