SCHEMBL13602191

SCHEMBL13602191

CCNC(=O)Nc1ccc(C(C)=O)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK13 O15264 1/20 0.52
MAPK12 P53778 1/20 0.52
MAPK11 Q15759 1/20 0.52
MAPK14 Q16539 1/20 0.52
ALDH1A1 P00352 1/20 0.50
EPHX2 P34913 2/20 0.49
EPHX1 P07099 1/20 0.49
DOT1L Q8TEK3 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
CYP3A4 P08684 2/20 0.46
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL13689741 0.88 KMT2A (0.50) KMT2AMEN1MAPK13MAPK12MAPK11
SCHEMBL13602318 0.88 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1EPHX2EPHX1
SCHEMBL13602364 0.80 RORC (0.59) KMT2AMEN1ALDH1A1EPHX2EPHX1
SCHEMBL13693070 0.80 CASR (0.52) KMT2AMEN1MAPK13MAPK12MAPK11
SCHEMBL31309231 0.80 MEN1 (0.78) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL13689807 0.79 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1EPHX2EPHX1
SCHEMBL18152989 0.79 NPC1 (0.50) KMT2AMEN1MAPK13MAPK12MAPK11
SCHEMBL13602178 0.78 RAB9A (0.56) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL11274028 0.77 EPHX1 (0.64) KMT2AMEN1ALDH1A1EPHX2EPHX1
SCHEMBL23560422 0.76 MTNR1B (0.57) KMT2AMEN1ALDH1A1EPHX1HTT

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-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
EP-1214292-B1 TYROSINE DERIVATIVES GENENTECH INC (US) 2007-06-13 EP 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 (2 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 KMT2A 1225/4885MEN1 3425/4885MAPK13 1806/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B KMT2A 2362/4885MEN1 3170/4885MAPK13 4254/4885

“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.