SCHEMBL146844

SCHEMBL146844

NC(=O)c1cc(Cl)c(C(=O)O)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.46
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PARP1 P09874 2/20 0.42
DHODH Q02127 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCAT2 O15382 1/20 0.41
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SRD5A2 P31213 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
SCHEMBL811037 0.86 LMNA (0.46) TTRTSHRLMNAHTTPARP1
SCHEMBL543454 0.83 TTR (0.65) TTRTSHRLMNAMAPTHSD17B10
SCHEMBL14060425 0.82 ALDH1A1 (0.48) TTRTSHRLMNAHTTPARP1
Hydrochloric Acid SCHEMBL5512605 0.81 TTR (0.62) TTRTSHRLMNAMAPTHSD17B10
Hydrochloric Acid SCHEMBL941982 0.81 TTR (0.62) TTRTSHRLMNAMAPTHSD17B10
Urea SCHEMBL29192961 0.79 AKR1C4 (0.48) TTRTSHRLMNAPOLBCYP3A4
SCHEMBL3130004 0.78 LMNA (0.47) TTRTSHRLMNAHTTPARP1
SCHEMBL23979099 0.77 TTR (0.46) TTRTSHRLMNAPOLBHSD17B10
SCHEMBL9769283 0.76 THRB (0.50) TTRTSHRPOLBCYP3A4RECQL
SCHEMBL4104322 0.76 TTR (0.62) TTRTSHRLMNAHTTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9364466-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-06-14 US disclosed
EP-2714688-B1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO CO LTD (JP) 2016-02-24 EP disclosed
US-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-06-11 US disclosed
US-8980911-B2 Heterocyclic compounds as protein kinase inhibitors DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-03-17 US disclosed
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-06-05 US disclosed
WO-2012160464-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-29 WO disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 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 (3 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-20150157613-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 TTR 3615/4885TSHR 2864/4885LMNA 3030/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E TTR 4629/4885TSHR 2653/4885LMNA 1063/4885
US-20140155398-A1 HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS MAP3K1, JAK2, AKT1 TTR 3615/4885TSHR 2864/4885LMNA 3030/4885

“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.