SCHEMBL697871

SCHEMBL697871

Cc1cccc([C@H](C)c2nccn2C(=O)OCCCC(F)(F)F)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.32
CACNA1B Q00975 2/20 0.32
AGTR2 P50052 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL696956 0.89 KMT2A (0.33) LMNAKMT2AALDH1A1MAPTPOLB
SCHEMBL696887 0.88 JMJD6 (0.34) LMNAKMT2AALDH1A1MAPTPOLB
SCHEMBL698638 0.88 BCHE (0.38) ALDH1A1MAPTMAPK1
SCHEMBL697568 0.87 MEN1 (0.34) LMNAKMT2AALDH1A1MAPTPOLB
SCHEMBL697545 0.87 ALDH1A1 (0.33) LMNAKMT2AALDH1A1MAPTPOLB
SCHEMBL697335 0.87 MAPK1 (0.36) LMNAALDH1A1MAPK1
SCHEMBL697281 0.87 LMNA (0.32) P2RY12LMNAKMT2AALDH1A1MAPT
SCHEMBL698906 0.86 RARB (0.33) LMNAKMT2AALDH1A1MAPTPOLB
SCHEMBL697702 0.85 MAPK1 (0.43) LMNAKMT2AALDH1A1MAPTPOLB
SCHEMBL699093 0.85 ALDH1A1 (0.40) LMNAKMT2AALDH1A1MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RY12 2174/4885CACNA1B 2062/4885AGTR2 1742/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RY12 2174/4885CACNA1B 2062/4885AGTR2 1742/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RY12 2174/4885CACNA1B 2062/4885AGTR2 1742/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RY12 2174/4885CACNA1B 2062/4885AGTR2 1742/4885

“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.