SCHEMBL697087

SCHEMBL697087

CC(O)(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
CYP3A4 P08684 2/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
MTOR P42345 1/20 0.40
ADK P55263 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
TAAR1 Q96RJ0 5/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.34
CFTR P13569 1/20 0.33
GOPC Q9HD26 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL6302051 1.00 CYP19A1 (0.47) CYP19A1CYP3A4TSHRCYP2C19MTOR
SCHEMBL11669862 0.86 CYP19A1 (0.43) CYP19A1CYP3A4TSHRCYP2C19NISCH
SCHEMBL697304 0.84 CYP19A1 (0.50) CYP19A1CYP3A4TSHRCYP2C19NISCH
SCHEMBL5924568 0.83 CYP19A1 (0.49) CYP19A1CYP3A4KMT2AMEN1
SCHEMBL697452 0.83 CYP19A1 (0.49) CYP19A1NISCHTAAR1KMT2AMEN1
SCHEMBL705114 0.82 CYP19A1 (0.42) CYP19A1CYP3A4CYP2C19NISCHTAAR1
SCHEMBL2697752 0.81 MTOR (0.42) CYP19A1CYP3A4TSHRCYP2C19MTOR
SCHEMBL6090949 0.81 CYP19A1 (0.64) CYP19A1CYP3A4TSHRCYP2C19MTOR
SCHEMBL697313 0.81 CYP19A1 (0.41) CYP19A1
SCHEMBL697534 0.81 CYP19A1 (0.41) CYP19A1TAAR1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3170462-A None JP disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 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
US-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 US disclosed
JP-H03170462-A 2-ETHENYL-1H-IMIDAZOLE DERIVATIVE AND ITS PRODUCTION AND ITS PRECURSOR WAKO PURE CHEM IND LTD 1991-07-24 JP disclosed
US-4349556-A Pesticidally active 1-acyloxy-1-phenyl-2-azolyl-ethanes BAYER AKTIENGESELLSCHAFT (DE) 1982-09-14 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 (5 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 CYP19A1 1985/4885CYP3A4 3/4885TSHR 3443/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP3A4 3/4885TSHR 3443/4885
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 CYP19A1 962/4885CYP3A4 923/4885TSHR 1329/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP3A4 3/4885TSHR 3443/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP3A4 3/4885TSHR 3443/4885

“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.