SCHEMBL697229

SCHEMBL697229

Cc1cccc([C@H](C)c2nccn2Cc2cccc(C#N)c2)c1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GLA P06280 1/20 0.40
YTHDC1 Q96MU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
ADORA2A P29274 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SCN8A Q9UQD0 1/20 0.37
BRD4 O60885 1/20 0.36
CA1 P00915 1/20 0.36
ALDH1A1 P00352 1/20 0.36
P2RX7 Q99572 1/20 0.36
MAPK14 Q16539 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL696289 0.84 TDP1 (0.54) TDP1LMNABRD4KMT2A
SCHEMBL695900 0.84 TDP1 (0.54) TDP1LMNABRD4KMT2A
SCHEMBL698557 0.83 KCNH2 (0.35) CYP11B1CYP11B2TDP1
SCHEMBL697757 0.83 TDP1 (0.41) CYP19A1CYP11B1CYP11B2TDP1LMNA
SCHEMBL697336 0.83 BRD4 (0.49) CYP11B1CYP11B2TDP1LMNABRD4
SCHEMBL698555 0.82 TDP1 (0.41) CYP11B1CYP11B2TDP1LMNAKMT2A
SCHEMBL697382 0.81 TDP1 (0.47) TDP1LMNAALDH1A1P2RX7KMT2A
SCHEMBL696260 0.81 TDP1 (0.47) TDP1LMNAALDH1A1P2RX7KMT2A
SCHEMBL697239 0.80 MAPT (0.46) TDP1RXFP1LMNAALDH1A1P2RX7
SCHEMBL703762 0.80 TDP1 (0.44) CYP11B1CYP11B2TDP1LMNAL3MBTL1

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 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885CYP11B1 68/4885CYP11B2 40/4885

“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.