SCHEMBL10153360

SCHEMBL10153360

O=CC=Nc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.35
NOTUM Q6P988 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
GPR35 Q9HC97 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10153362 0.87 ITGB3 (0.39) SIRT2ITGB3ITGAV
SCHEMBL17403485 0.83 AHR (0.35) AHRNOTUMRAPGEF4HDAC3HDAC1
SCHEMBL10153371 0.81 TSHR (0.38) ALDH1A1CYP3A4TSHRITGB3ITGAV
SCHEMBL14648361 0.76 NOTUM (0.38) AHRNOTUMRAPGEF4HDAC3HDAC1
SCHEMBL10153370 0.72 PTGS2 (0.46) ALDH1A1CYP3A4TSHRCYP1A2KDM4E
SCHEMBL17409762 0.72 RAPGEF4 (0.38) AHRNOTUMRAPGEF4HDAC3HDAC1
SCHEMBL321756 0.70 AHR (0.52) AHRNOTUMRAPGEF4HDAC3HDAC1
SCHEMBL3786224 0.70 RAPGEF4 (0.47) AHRNOTUMRAPGEF4SLC13A3ALDH1A1
SCHEMBL17311161 0.69 RAPGEF4 (0.36) AHRNOTUMRAPGEF4FFAR4SLC13A3
SCHEMBL10153372 0.68 KMT2A (0.32) TDP1

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-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 AHR 3232/4885NOTUM 1957/4885RAPGEF4 612/4885

“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.