SCHEMBL698733

SCHEMBL698733

Cc1cccc([C@H](C)c2nccn2C(=O)OC2CCCCC2C)c1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
CYP19A1 P11511 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
IDH1 O75874 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
ATM Q13315 1/20 0.30
RAB9A P51151 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
SCHEMBL708975 0.89 IDH1 (0.31) TAS1R3TAS1R1TAS1R2IDH1TSHR
SCHEMBL708976 0.89 IDH1 (0.31) TAS1R3TAS1R1TAS1R2IDH1TSHR
SCHEMBL3534000 0.88 CYP19A1 (0.39) TAS1R3TAS1R1TAS1R2CYP19A1IDH1
SCHEMBL697473 0.85 ATM (0.36) CYP19A1TSHRHPGDATM
SCHEMBL698479 0.84 CYP19A1 (0.35) CYP19A1IDH1TSHRATM
SCHEMBL698478 0.84 CYP19A1 (0.35) CYP19A1IDH1TSHRATM
SCHEMBL696477 0.81 KMT2A (0.38) SSTR1SSTR4ATM
SCHEMBL695810 0.81 GUCY1B2 (0.36) CYP19A1IDH1TSHRRAB9A
SCHEMBL696466 0.81 HRH3 (0.33) IDH1ATM
SCHEMBL713477 0.81 POLB (0.33) SMN1; SMN2

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 TAS1R3 2614/4885TAS1R1 3312/4885TAS1R2 3028/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAS1R3 2614/4885TAS1R1 3312/4885TAS1R2 3028/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAS1R3 2614/4885TAS1R1 3312/4885TAS1R2 3028/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAS1R3 2614/4885TAS1R1 3312/4885TAS1R2 3028/4885

“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.