SCHEMBL698479

SCHEMBL698479

Cc1cccc([C@H](C)c2nccn2C(=O)OC2CCC(C)CC2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
HRH3 Q9Y5N1 7/20 0.33
ADRA2A P08913 4/20 0.32
ADRA2B P18089 4/20 0.32
ADRA2C P18825 4/20 0.32
ADRA1A P35348 3/20 0.32
ADRA1B P35368 3/20 0.32
ADRA1D P25100 2/20 0.32
KCNH2 Q12809 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR7 P34969 1/20 0.32
POLB P06746 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL698478 1.00 CYP19A1 (0.35) CYP19A1HRH3ADRA2AADRA2BADRA2C
SCHEMBL697473 0.92 ATM (0.36) CYP19A1HRH3TSHRPOLBATM
SCHEMBL3534000 0.92 CYP19A1 (0.39) CYP19A1HRH3TSHRPOLBATM
SCHEMBL696466 0.91 HRH3 (0.33) HRH3POLBATMIDH1
SCHEMBL713477 0.89 POLB (0.33) HRH3POLB
SCHEMBL696477 0.89 KMT2A (0.38) HRH3ATM
SCHEMBL698733 0.84 TAS1R3 (0.37) CYP19A1TSHRATMIDH1
SCHEMBL699093 0.82 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL708976 0.81 IDH1 (0.31) TSHRATMIDH1
SCHEMBL708975 0.81 IDH1 (0.31) TSHRATMIDH1

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 1985/4885HRH3 298/4885ADRA2A 456/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885HRH3 298/4885ADRA2A 456/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885HRH3 298/4885ADRA2A 456/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CYP19A1 1985/4885HRH3 298/4885ADRA2A 456/4885

“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.