SCHEMBL15944975

SCHEMBL15944975

O=C(Nc1nc2ccccc2[nH]1)C1CC1c1cc(Br)ccc1F

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.52
CYP1A2 P05177 1/20 0.52
NPC1 O15118 7/20 0.50
RAB9A P51151 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPT P10636 1/20 0.46

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
SCHEMBL15944970 0.87 LPAR2 (0.76) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944974 0.82 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL18106887 0.80 NPC1 (0.51) SMN1; SMN2CYP1A2NPC1RAB9AMEN1
SCHEMBL18117537 0.79 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944966 0.78 LPAR2 (0.68) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944956 0.78 LPAR2 (1.00) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944971 0.78 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944981 0.78 LPAR2 (0.71) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15938994 0.78 LPAR2 (0.77) LPAR2SMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL15944949 0.76 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 2/4885SMN1; SMN2 3839/4885CYP1A2 2520/4885

“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.