SCHEMBL15944993

SCHEMBL15944993

O=C(Nc1nc2cc(Br)cnc2[nH]1)C1CC1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.60
DEGS1 O15121 2/20 0.48
HDAC4 P56524 1/20 0.47
ROCK2 O75116 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NAMPT P43490 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ITK Q08881 3/20 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
SCHEMBL15945004 1.00 LPAR2 (0.60) LPAR2DEGS1HDAC4ROCK2ALDH1A1
SCHEMBL15947349 1.00 LPAR2 (0.60) LPAR2DEGS1HDAC4ROCK2ALDH1A1
SCHEMBL14703876 0.89 LPAR2 (0.67) LPAR2DEGS1ROCK2ALDH1A1NAMPT
SCHEMBL15944997 0.87 LPAR2 (0.72) LPAR2DEGS1HDAC4ROCK2ALDH1A1
SCHEMBL15944995 0.82 LPAR2 (0.59) LPAR2DEGS1HDAC4ROCK2ALDH1A1
SCHEMBL15944986 0.82 LPAR2 (0.61) LPAR2DEGS1HDAC4ROCK2ALDH1A1
SCHEMBL18106899 0.80 DEGS1 (0.40) LPAR2DEGS1HDAC4ALDH1A1SMN1; SMN2
SCHEMBL15938994 0.78 LPAR2 (0.77) LPAR2HDAC4ALDH1A1NAMPTLMNA
SCHEMBL15944990 0.76 LPAR2 (0.57) LPAR2DEGS1NAMPT
SCHEMBL15944974 0.76 LPAR2 (0.77) LPAR2LMNAHTTSMN1; SMN2

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 2/4885DEGS1 251/4885HDAC4 1534/4885

“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.