SCHEMBL15944967

SCHEMBL15944967

NCc1ccc2[nH]c(NC(=O)C3CC3c3ccccc3)nc2c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.63
CYP1A2 P05177 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
CFD P00746 1/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ROCK2 O75116 1/20 0.43
DEGS1 O15121 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
SCHEMBL15944983 0.90 LPAR2 (0.63) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15939272 0.85 LPAR2 (0.68) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15944985 0.84 LPAR2 (0.84) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15938994 0.83 LPAR2 (0.77) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15944962 0.82 LPAR2 (0.64) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15938955 0.81 LPAR2 (0.54) LPAR2CYP1A2ALDH1A1NAMPTCFD
SCHEMBL15944965 0.81 LPAR2 (0.63) LPAR2CYP1A2SMN1; SMN2LMNAMAPT
SCHEMBL15944964 0.81 LPAR2 (0.78) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15944968 0.81 LPAR2 (0.71) LPAR2CYP1A2SMN1; SMN2ALDH1A1NAMPT
SCHEMBL15944959 0.79 LPAR2 (0.57) LPAR2CYP1A2NAMPTMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-8912202-B2 N-(benzimimdazol-2-yl)-cyclopropane carboxamides as lysophosphatidic acid antagonists MERCK PATENT GMBH (DE) 2014-12-16 US disclosed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US disclosed
US-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists MERCK PATENT GMBH (DE) 2014-08-14 US 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-20140228378-A1 N-(Benzimimdazol-2-yl)-Cyclopropane Carboxamides as Lysophosphatidic Acid Antagonists LPAR5, LPAR2, LPAR1 LPAR2 2/4885CYP1A2 2520/4885SMN1; SMN2 3839/4885

“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.