SCHEMBL696920

SCHEMBL696920

O=C(c1ncc[nH]1)c1c(F)cccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
F2RL1 P55085 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK7 Q13164 3/20 0.41
MAPK14 Q16539 3/20 0.41
POLB P06746 1/20 0.40
GLA P06280 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
NOD2 Q9HC29 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.37

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
SCHEMBL2574266 0.89 KMT2A (0.60) KMT2ANPC1RAB9AF2RL1MAPK7
SCHEMBL722012 0.82 KMT2A (0.59) KMT2ANPC1RAB9AF2RL1CES2
SCHEMBL653632 0.81 KMT2A (0.67) KMT2ANPC1RAB9AF2RL1CES2
SCHEMBL3428547 0.80 KMT2A (0.49) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL698128 0.80 KMT2A (0.56) KMT2ANPC1RAB9AF2RL1CES2
SCHEMBL1573433 0.79 KMT2A (0.37) KMT2ANPC1RAB9AF2RL1CES2
SCHEMBL697332 0.79 NPC1 (0.54) KMT2ANPC1RAB9AF2RL1CES2
SCHEMBL1324 0.77 NPC1 (0.62) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL27733634 0.76 KMT2A (0.52) KMT2ANPC1RAB9AF2RL1HTT
SCHEMBL110355 0.75 NPC1 (0.47) KMT2ANPC1RAB9AF2RL1HTT

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 945/4885NPC1 745/4885RAB9A 777/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885NPC1 745/4885RAB9A 777/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885NPC1 745/4885RAB9A 777/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885NPC1 745/4885RAB9A 777/4885

“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.