SCHEMBL2399600

SCHEMBL2399600

NC(=O)CC[CH]c1cccc(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
EPHX1 P07099 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
P4HB P07237 1/20 0.46
MEN1 O00255 1/20 0.46
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
CES2 O00748 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOB P27338 2/20 0.44
FBP1 P09467 1/20 0.44
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL4989286 0.86 RECQL (0.52) RECQLEPHX1LMNAMAPTPKM
SCHEMBL4321800 0.82 P4HB (0.48) RECQLLMNAMAPTPKMP4HB
SCHEMBL3167843 0.78 RECQL (0.57) RECQLLMNAMAPTPKMP4HB
SCHEMBL27848971 0.78 NFE2L2 (0.49) RECQLLMNAMAPTPKMP4HB
SCHEMBL4306491 0.77 P4HB (0.51) RECQLLMNAMAPTPKMP4HB
SCHEMBL18577798 0.76 NFE2L2 (0.50) RECQLLMNAMAPTPKMP4HB
SCHEMBL27796912 0.76 NFE2L2 (0.50) RECQLMAOBFBP1NFE2L2
SCHEMBL5329189 0.76 ALDH1A1 (0.41) RECQLLMNAMAPTPKMNPSR1
SCHEMBL2401094 0.76 ALDH1A1 (0.53) LMNAPKMMAOBALDH1A1
SCHEMBL18244111 0.75 NFE2L2 (0.53) LMNAMAPTPKMP4HBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297112-B1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2013-04-03 EP disclosed
US-8293917-B2 Pyrazole compounds as CCR1 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
WO-2009137338-A1 PYRAZOLE COMPOUNDS AS CCR1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-12 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-20110230521-A1 Pyrazole Compounds As CCR1 Antagonists CCR1, CCR3, CCR4 RECQL 1225/4885EPHX1 1019/4885LMNA 4545/4885

“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.