SCHEMBL15944987

SCHEMBL15944987

O=C(Nc1nc2c([N+](=O)[O-])cccc2[nH]1)C1CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR2 Q9HBW0 4/20 0.55
KMT2A Q03164 3/20 0.52
NPC1 O15118 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
DEGS1 O15121 1/20 0.43
CYP1A2 P05177 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
SCHEMBL15944988 0.84 LPAR2 (0.67) LPAR2KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL15944991 0.83 LPAR2 (0.59) LPAR2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL18106900 0.82 SMN1; SMN2 (0.48) LPAR2KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL15938743 0.79 LPAR2 (0.57) LPAR2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL15938994 0.79 LPAR2 (0.77) LPAR2NPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6118547 0.78 MAOB (0.65) KMT2ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL15944972 0.78 LPAR2 (0.71) LPAR2KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL28825368 0.76 LPAR2 (0.52) LPAR2SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL1013853 0.76 LMNA (0.54) KMT2ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL15944982 0.74 LPAR2 (0.72) LPAR2SMN1; SMN2MAPTALDH1A1LMNA

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 2 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-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 2/4885KMT2A 1545/4885NPC1 1073/4885

“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.