SCHEMBL697349

SCHEMBL697349

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2RL1 P55085 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
GLA P06280 1/20 0.42
P2RX7 Q99572 3/20 0.40
BRAF P15056 2/20 0.40
HDAC1 Q13547 1/20 0.40
KAT6A Q92794 1/20 0.40
CNR2 P34972 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
CTSS P25774 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38

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
SCHEMBL703867 0.85 KMT2A (0.59) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL697432 0.84 TAAR1 (0.44) KMT2ANPC1RAB9ATAAR1P2RX7
SCHEMBL722012 0.82 KMT2A (0.59) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL28188796 0.78 KAT6A (0.51) P2RX7KAT6ACNR2CTSSTAS1R3
SCHEMBL27805818 0.77 KMT2A (0.77) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL653632 0.76 KMT2A (0.67) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL29286568 0.75 KAT6A (0.42) SMN1; SMN2P2RX7KAT6ACNR2CTSS
SCHEMBL698128 0.74 KMT2A (0.56) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL395690 0.73 KMT2A (0.67) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL698757 0.72 KMT2A (0.43) KMT2ANPC1RAB9AHTTSMN1; 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 12 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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN 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
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN 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.