SCHEMBL699131

SCHEMBL699131

C=C(c1cccc(Br)c1)c1nccn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HSP90AA1 P07900 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.38
CYP11B1 P15538 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
SCHEMBL697334 0.88 RAB9A (0.43) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL697366 0.86 HDAC1 (0.43) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL698194 0.85 KMT2A (0.46) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL697381 0.84 RAB9A (0.46) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL28793808 0.83 ALDH1A1 (0.38) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL697826 0.82 RAB9A (0.41) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL697918 0.81 DRD2 (0.42) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL696367 0.80 OPRD1 (0.51) KMT2AALDH1A1HSP90AA1RAB9ANPC1
SCHEMBL705643 0.76 RAB9A (0.44) ALDH1A1HSP90AA1RAB9ANPC1SMN1; SMN2
SCHEMBL696960 0.76 RAB9A (0.44) KMT2AALDH1A1HSP90AA1RAB9ANPC1

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
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN 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 945/4885ALDH1A1 617/4885HSP90AA1 1213/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885ALDH1A1 617/4885HSP90AA1 1213/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885ALDH1A1 617/4885HSP90AA1 1213/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KMT2A 945/4885ALDH1A1 617/4885HSP90AA1 1213/4885

“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.