SCHEMBL15938458

SCHEMBL15938458

O=C(O)C1CC1c1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.45
TSHR P16473 2/20 0.42
ALDH1A1 P00352 1/20 0.42
KMO O15229 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
CYP2C19 P33261 1/20 0.41
SLC9A1 P19634 1/20 0.41
NOTUM Q6P988 1/20 0.40
NR4A2 P43354 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39

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
SCHEMBL16585100 0.88 MEN1 (0.50) FFAR1ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL17985242 0.88 MEN1 (0.50) FFAR1ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL16585271 0.88 MEN1 (0.50) FFAR1ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL1586594 0.83 ALDH1A1 (0.41) TSHRALDH1A1KMT2AMEN1SLC9A1
SCHEMBL6130264 0.83 ALDH1A1 (0.41) TSHRALDH1A1KMT2AMEN1SLC9A1
SCHEMBL15938770 0.80 HTR2A (0.50) FFAR1TSHRALDH1A1KMOKMT2A
SCHEMBL7000314 0.79 SLC9A1 (0.62) FFAR1TSHRKMOKMT2AMEN1
SCHEMBL3422742 0.79 SLC9A1 (0.62) FFAR1TSHRKMOKMT2AMEN1
SCHEMBL12875725 0.79 SLC9A1 (0.62) FFAR1TSHRKMOKMT2AMEN1
SCHEMBL28820132 0.79 HTR2C (0.39) ALDH1A1KMT2AMEN1POLBSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742029-B1 N-(BENZIMIMDAZOL-2-YL)-CYCLOPROPANE CARBOXAMIDES AS LYSOPHOSPHATIDIC ACID ANTAGONISTS MERCK PATENT GMBH (DE) 2016-10-05 EP 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

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 FFAR1 85/4885TSHR 2391/4885ALDH1A1 1766/4885

“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.