SCHEMBL705114

SCHEMBL705114

Cc1cccc(C(C)(O)c2ncc[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
TAAR1 Q96RJ0 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C8 P10632 1/20 0.36
LMNA P02545 2/20 0.35
MAPK14 Q16539 1/20 0.35
MDM2 Q00987 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ACHE P22303 2/20 0.32
KMO O15229 1/20 0.32

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
SCHEMBL696424 0.84 CYP19A1 (0.42) CYP19A1TAAR1MDM2NISCHSMN1; SMN2
SCHEMBL697717 0.84 CYP19A1 (0.51) CYP19A1TAAR1MDM2CNR2MEN1
SCHEMBL697534 0.84 CYP19A1 (0.41) CYP19A1TAAR1CYP2C9CYP2C8ALDH1A1
SCHEMBL697313 0.84 CYP19A1 (0.41) CYP19A1MDM2
SCHEMBL697087 0.82 CYP19A1 (0.47) CYP19A1TAAR1NISCHALDH1A1MEN1
SCHEMBL6302051 0.82 CYP19A1 (0.47) CYP19A1TAAR1NISCHALDH1A1MEN1
SCHEMBL697304 0.81 CYP19A1 (0.50) CYP19A1TAAR1CYP2C9CYP2C8MDM2
SCHEMBL27733475 0.80 CYP19A1 (0.38) CYP19A1MDM2SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL696425 0.78 KCNH2 (0.42) CYP19A1NPC1RAB9AKIF11KCNH2
SCHEMBL697370 0.78 CYP19A1 (0.51) CYP19A1LMNAMDM2SMN1; SMN2ALDH1A1

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 10 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
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

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 1985/4885TAAR1 2147/4885CYP2C9 8/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885CYP2C9 8/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885CYP2C9 8/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885TAAR1 2147/4885CYP2C9 8/4885

“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.