SCHEMBL10042100

SCHEMBL10042100

O=C(Cl)c1cc(C(=O)c2c(F)cc(F)cc2F)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.46
MAPK7 Q13164 8/20 0.43
MAPK14 Q16539 6/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DOT1L Q8TEK3 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
SCHEMBL299630 0.85 POLB (0.50) POLBKMT2AMAPK7MAPK14ALDH1A1
SCHEMBL298824 0.80 BAZ2B (0.55) POLBKMT2AMAPK7MAPK14ALDH1A1
SCHEMBL10042102 0.76 MAPK14 (0.52) POLBKMT2AMAPK7MAPK14HTT
SCHEMBL298212 0.72 POLB (0.51) POLBKMT2AMAPK7MAPK14ALDH1A1
SCHEMBL1507329 0.72 MAPK7 (0.48) POLBKMT2AMAPK7MAPK14GAA
SCHEMBL289690 0.71 CES2 (0.44) KMT2AALDH1A1GAA
SCHEMBL10029664 0.71 CES2 (0.48) KMT2AGAA
SCHEMBL30395996 0.71 SMYD3 (0.47) KMT2AALDH1A1GAANPC1HTT
SCHEMBL1507316 0.70 L3MBTL1 (0.48) MAPK7MAPK14ALDH1A1LMNAHTT
SCHEMBL300049 0.70 POLB (0.68) POLBMAPK7MAPK14ALDH1A1GAA

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-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-8513289-B2 P38 kinase inhibiting agents MERCK SHARP & DOHME CORP. (US) 2013-08-20 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
US-20120040999-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME LLC 2012-02-16 US disclosed
WO-2010129208-A1 P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO 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-20120040999-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPKAPK2 POLB 2065/4885KMT2A 4754/4885MAPK7 4/4885

“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.