SCHEMBL697995

SCHEMBL697995

Cc1cccc(C(=O)c2ncc[nH]2)c1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F2RL1 P55085 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CSNK1A1 P48729 1/20 0.38
TYRO3 Q06418 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
BRAF P15056 1/20 0.37
HDAC1 Q13547 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
ADRA2A P08913 1/20 0.36
ADRA1A P35348 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
SCHEMBL28358852 0.87 KMT2A (0.67) KMT2ANPC1RAB9AGLAHTT
SCHEMBL10507087 0.86 NPC1 (0.55) KMT2ANPC1RAB9AGLAHTT
SCHEMBL698128 0.85 KMT2A (0.56) KMT2ANPC1RAB9AGLAHTT
SCHEMBL27805818 0.81 KMT2A (0.77) KMT2ANPC1RAB9AGLAHTT
SCHEMBL697619 0.81 KMT2A (0.41) KMT2ANPC1RAB9AGLAHTT
SCHEMBL697439 0.80 KMT2A (0.40) KMT2ANPC1RAB9AGLAHTT
SCHEMBL697438 0.80 KMT2A (0.40) KMT2ANPC1RAB9AGLAHTT
SCHEMBL2450877 0.76 KMT2A (0.69) KMT2ANPC1RAB9AGLAHTT
Acetone SCHEMBL27732294 0.75 NPC1 (0.61) KMT2ANPC1RAB9AGLAHTT
SCHEMBL29515031 0.75 KMT2A (0.52) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO claimed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
WO-2011070069-A1 PROCESS FOR PREPARATION OF MEDETOMIDINE I-TECH AB (SE) 2011-06-16 WO 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.