SCHEMBL7126958

SCHEMBL7126958

COc1cc(NC(=O)Cc2cc(C#N)ccc2OCc2ccccc2)ccc1C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.46
SLC6A9 P48067 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.44
ATM Q13315 1/20 0.44
SCN9A Q15858 1/20 0.43
APP P05067 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
ALOX12 P18054 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP19A1 P11511 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 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
SCHEMBL5099764 0.91 MET (0.46) METSLC6A9NPC1RAB9AALDH1A1
SCHEMBL7113075 0.89 MET (0.46) METSLC6A9NPC1RAB9AALDH1A1
SCHEMBL7123540 0.89 HPGD (0.49) METSLC6A9NPC1RAB9ALMNA
SCHEMBL7124454 0.87 MET (0.45) METSLC6A9ALDH1A1LMNAP2RX4
SCHEMBL5091241 0.83 ALDH1A1 (0.45) ALDH1A1ATMMEN1KMT2ALMNA
SCHEMBL5093181 0.83 SLC6A9 (0.45) METSLC6A9NPC1RAB9AALDH1A1
SCHEMBL7127088 0.80 MRGPRX4 (0.49) METALDH1A1LMNAMAPTCYP19A1
SCHEMBL7121876 0.78 ALDH1A1 (0.49) ALDH1A1ATMMEN1KMT2ALMNA
SCHEMBL7117549 0.78 SPHK1 (0.47) METALDH1A1APPLMNACYP19A1
SCHEMBL7160217 0.78 P2RX4 (0.44) METNPC1RAB9AALDH1A1ATM

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 MET 1827/4885SLC6A9 4224/4885NPC1 4462/4885

“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.