SCHEMBL13766652

SCHEMBL13766652

O=Nc1ccc(Cl)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
CCR2 P41597 2/20 0.34
KMO O15229 2/20 0.33
TP53 P04637 2/20 0.33
S100A4 P26447 1/20 0.33
LMNA P02545 1/20 0.33
CCNT1 O60563 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK9 P50750 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ITGB3 P05106 1/20 0.32

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
SCHEMBL13543520 0.84 TP53 (0.35) KMT2APPARGPPARACCR2TP53
SCHEMBL28199574 0.78 TP53 (0.38) KMT2ATP53S100A4LMNAHPGD
SCHEMBL12440864 0.77 HTR2A (0.36) KMT2APPARGPPARACCR2KMO
SCHEMBL163398 0.77 TDP1 (0.38) KMT2APPARGPPARACCR2KMO
SCHEMBL29574363 0.77 TDP1 (0.38) KMT2APPARGPPARACCR2KMO
SCHEMBL9290659 0.76 TP53 (0.48) KMT2ATP53LMNAHPGDSMN1; SMN2
SCHEMBL31218219 0.76 TP53 (0.48) KMT2ATP53LMNAHPGDSMN1; SMN2
SCHEMBL92866 0.76 CES2 (0.43) LMNANPC1
SCHEMBL29577999 0.74 ALDH1A1 (0.34) KMT2ATP53LMNAHPGD
SCHEMBL1274361 0.74 ALDH1A1 (0.34) KMT2ATP53LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-8497283-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2013-07-30 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-7560470-B2 Heterocyclyl-3-sulfonylindazoles as 5-hydroxytryptamine-6 ligands WYETH (US) 2009-07-14 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-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 KMT2A 1523/4885PPARG 4353/4885PPARA 3011/4885

“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.