SCHEMBL7121876

SCHEMBL7121876

Cc1cc(NC(=O)Cc2cc(C#N)ccc2OCc2ccccc2)ccc1S(=O)(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ATM Q13315 1/20 0.49
P2RX4 Q99571 1/20 0.47
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP19A1 P11511 1/20 0.43

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
SCHEMBL5099764 0.84 MET (0.46) ALDH1A1ATMP2RX4LMNACYP19A1
SCHEMBL7127088 0.81 MRGPRX4 (0.49) ALDH1A1P2RX4MAPTLMNACYP19A1
SCHEMBL7123540 0.79 HPGD (0.49) P2RX4LMNA
SCHEMBL7122686 0.79 P2RX4 (0.44) P2RX4LMNACYP19A1
SCHEMBL7126958 0.78 MET (0.46) ALDH1A1ATMP2RX4MAPTLMNA
SCHEMBL5089227 0.78 RORC (0.45) P2RX4LMNACYP19A1
SCHEMBL7113075 0.77 MET (0.46) ALDH1A1ATMP2RX4MAPTLMNA
SCHEMBL7117549 0.77 SPHK1 (0.47) ALDH1A1P2RX4LMNACYP19A1
SCHEMBL7561577 0.77 CYP19A1 (0.42) ALDH1A1P2RX4MAPTLMNASMN1; SMN2
SCHEMBL6942080 0.76 RORC (0.40) P2RX4LMNACYP19A1

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 ALDH1A1 112/4885ATM 4111/4885P2RX4 2133/4885

“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.