SCHEMBL15944978

SCHEMBL15944978

N#Cc1cccc(C2CC2C(=O)Nc2nc3ccccc3[nH]2)c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.74
IRAK4 Q9NWZ3 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.53
CYP1A2 P05177 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.45
ABL1 P00519 1/20 0.44

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
SCHEMBL15944962 0.86 LPAR2 (0.64) LPAR2IRAK4SMN1; SMN2CYP1A2NPC1
SCHEMBL15944999 0.86 LPAR2 (0.74) LPAR2IRAK4SMN1; SMN2CYP1A2NPC1
SCHEMBL15938994 0.85 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944953 0.85 LPAR2 (1.00) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944971 0.85 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944961 0.85 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944974 0.85 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944957 0.84 LPAR2 (0.61) LPAR2IRAK4NPC1RAB9AABL1
SCHEMBL15944979 0.82 LPAR2 (0.76) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944976 0.82 LPAR2 (0.76) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A

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 2/4885IRAK4 599/4885SMN1; 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.