SCHEMBL697329

SCHEMBL697329

COc1cccc(C(C)c2nccn2COC(=O)C(C)(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
LDHA P00338 1/20 0.37
KMT2A Q03164 3/20 0.34
FPR2 P25090 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 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
SCHEMBL698624 0.88 ALDH1A1 (0.35) ALDH1A1MAPTTDP1KMT2AFPR2
SCHEMBL697152 0.88 ALDH1A1 (0.35) ALDH1A1MAPTTDP1KMT2AFPR2
SCHEMBL3528743 0.88 ALDH1A1 (0.35) ALDH1A1MAPTTDP1KMT2AFPR2
SCHEMBL697034 0.82 ALDH1A1 (0.35) ALDH1A1MAPTTDP1KMT2AFPR2
SCHEMBL697333 0.81 KMT2A (0.36) ALDH1A1MAPTKMT2AFPR2SMN1; SMN2
SCHEMBL702874 0.80 KMT2A (0.36) ALDH1A1MAPTTDP1KMT2AFPR2
SCHEMBL697282 0.80 P2RX7 (0.40) ALDH1A1MAPTKMT2A
SCHEMBL698829 0.79 NPC1 (0.39) TDP1KMT2ASMN1; SMN2
SCHEMBL698625 0.79 MEN1 (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL696990 0.79 SMN1; SMN2 (0.35) ALDH1A1TDP1KMT2AFPR2SMN1; 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 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 ALDH1A1 617/4885MAPT 316/4885TDP1 2820/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885TDP1 2820/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885TDP1 2820/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALDH1A1 617/4885MAPT 316/4885TDP1 2820/4885

“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.