SCHEMBL722012

SCHEMBL722012

O=C(c1ncc[nH]1)c1cccc(F)c1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
F2RL1 P55085 1/20 0.50
CES2 O00748 3/20 0.49
CES1 P23141 3/20 0.49
BCHE P06276 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
GLA P06280 1/20 0.45
MAPK7 Q13164 1/20 0.41
MAPK14 Q16539 1/20 0.41
HPGD P15428 1/20 0.40
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
DCLK1 O15075 1/20 0.36
DYRK3 O43781 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL653632 0.87 KMT2A (0.67) KMT2AF2RL1CES2CES1HTT
SCHEMBL698128 0.85 KMT2A (0.56) KMT2AF2RL1CES2CES1BCHE
SCHEMBL697904 0.83 KMT2A (0.42) KMT2AF2RL1CES2CES1BCHE
SCHEMBL697349 0.82 KMT2A (0.54) KMT2AF2RL1HTTSMN1; SMN2NPC1
SCHEMBL696920 0.82 KMT2A (0.51) KMT2AF2RL1CES2CES1HTT
SCHEMBL27733634 0.81 KMT2A (0.52) KMT2AF2RL1HTTSMN1; SMN2NPC1
SCHEMBL27805818 0.81 KMT2A (0.77) KMT2AF2RL1HTTSMN1; SMN2NPC1
SCHEMBL3428547 0.76 KMT2A (0.49) KMT2AF2RL1HTTSMN1; SMN2NPC1
SCHEMBL2574266 0.76 KMT2A (0.60) KMT2AF2RL1NPC1RAB9AMAPK7
SCHEMBL2450877 0.76 KMT2A (0.69) KMT2AF2RL1HTTSMN1; SMN2NPC1

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 KMT2A 945/4885F2RL1 3870/4885CES2 722/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885F2RL1 3870/4885CES2 722/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885F2RL1 3870/4885CES2 722/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885F2RL1 3870/4885CES2 722/4885

“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.