SCHEMBL7122980

SCHEMBL7122980

N#Cc1cccc(CC(=O)Nc2ccc(C(=O)N3CCCC3)c(Br)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ROCK2 O75116 1/20 0.47
CCKBR P32239 1/20 0.47
MAPK8 P45983 1/20 0.46
RORC P51449 1/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
FAAH O00519 1/20 0.43
KCNQ2 O43526 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 2/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.43
DPP7 Q9UHL4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
CYP3A4 P08684 2/20 0.42

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
SCHEMBL7113075 0.81 MET (0.46) LMNAALDH1A1HPGDMAPTMET
SCHEMBL7533486 0.80 SMN1; SMN2 (0.43) LMNACCKBRFAAHALDH1A1KMT2A
SCHEMBL7533942 0.71 ANO1 (0.50) LMNAMAPK8RORCALDH1A1POLB
SCHEMBL7123540 0.71 HPGD (0.49) LMNAPOLBHPGDMET
SCHEMBL5099764 0.71 MET (0.46) LMNAALDH1A1MET
SCHEMBL29767752 0.70 LMNA (1.00) LMNARORCALDH1A1KMT2AUSP2
SCHEMBL7126958 0.70 MET (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL6343546 0.69 F10 (0.55) LMNAKCNQ2ALDH1A1KMT2AUSP2
SCHEMBL5091241 0.69 ALDH1A1 (0.45) LMNAALDH1A1KMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL5091270 0.69 F10 (0.54) LMNAKCNQ2ALDH1A1KMT2AUSP2

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 LMNA 1147/4885ROCK2 2626/4885CCKBR 1107/4885

“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.