SCHEMBL703867

SCHEMBL703867

O=C(c1ncc[nH]1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
P2RX7 Q99572 7/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
BRAF P15056 2/20 0.43
HDAC1 Q13547 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CTSS P25774 3/20 0.42
GLA P06280 1/20 0.41
CTSK P43235 2/20 0.41

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
SCHEMBL697349 0.85 KMT2A (0.54) KMT2AP2RX7NPC1RAB9ABRAF
SCHEMBL697429 0.84 P2RX7 (0.44) KMT2AP2RX7TAAR1CTSSCTSK
SCHEMBL28311763 0.79 CTSS (0.55) P2RX7CTSSCTSK
SCHEMBL27805818 0.76 KMT2A (0.77) KMT2ANPC1RAB9ABRAFHDAC1
SCHEMBL722012 0.73 KMT2A (0.59) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL697432 0.72 TAAR1 (0.44) KMT2AP2RX7NPC1RAB9ATAAR1
SCHEMBL395690 0.72 KMT2A (0.67) KMT2ANPC1RAB9ABRAFHDAC1
SCHEMBL653632 0.72 KMT2A (0.67) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL698757 0.71 KMT2A (0.43) KMT2ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL422330 0.71 TSHR (0.57) KMT2AP2RX7CTSSCTSK

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 945/4885P2RX7 671/4885NPC1 745/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885P2RX7 671/4885NPC1 745/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885P2RX7 671/4885NPC1 745/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885P2RX7 671/4885NPC1 745/4885

“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.