SCHEMBL698656

SCHEMBL698656

Cc1cccc([C@H](C)c2nccn2Cc2c(Cl)cccc2Cl)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.42
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ACP1 P24666 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2C P18825 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL696318 0.85 PKM (0.39) KCNH2PKMTDP1ALDH1A1CYP2D6
SCHEMBL697205 0.85 TDP1 (0.44) KCNH2TDP1POLBALDH1A1SMN1; SMN2
SCHEMBL697196 0.85 ADRA2C (0.39) KCNH2PKMTDP1CYP2D6TSHR
SCHEMBL695900 0.85 TDP1 (0.54) KCNH2TDP1CYP2D6CYP2C19KMT2A
SCHEMBL696289 0.85 TDP1 (0.54) KCNH2TDP1CYP2D6CYP2C19KMT2A
SCHEMBL698832 0.84 TDP1 (0.44) KCNH2TDP1ALDH1A1CYP2D6TSHR
SCHEMBL703762 0.84 TDP1 (0.44) KCNH2TDP1POLBSMN1; SMN2CYP2D6
SCHEMBL697360 0.83 FSCN1 (0.44) KCNH2TDP1LMNA
SCHEMBL697206 0.83 KCNH2 (0.38) KCNH2PKMTDP1ALDH1A1CYP2D6
SCHEMBL698574 0.83 KMT2A (0.50) KCNH2TDP1ALDH1A1CYP2D6TSHR

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 KCNH2 277/4885PKM 1430/4885TDP1 2820/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KCNH2 277/4885PKM 1430/4885TDP1 2820/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KCNH2 277/4885PKM 1430/4885TDP1 2820/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KCNH2 277/4885PKM 1430/4885TDP1 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.