SCHEMBL12376581

SCHEMBL12376581

CNC(=O)c1ccc(C(C)(C)C)o1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.56
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
IMPDH2 P12268 1/20 0.41
MAPK14 Q16539 1/20 0.40
PLK1 P53350 3/20 0.40
KLK7 P49862 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL13753590 0.83 MITF (0.55) MITFIMPDH2KLK7KDM4EALDH1A1
SCHEMBL353259 0.83 MITF (0.41) MITFPLK1KLK7NPC1RAB9A
SCHEMBL13753380 0.80 NPC1 (0.53) MITFIMPDH2NPC1KDM4EALDH1A1
SCHEMBL13753329 0.80 MITF (0.56) MITFIMPDH2ALDH1A1HPGDTSHR
SCHEMBL16473869 0.79 MITF (0.55) MITFIMPDH2ALDH1A1HPGDTSHR
SCHEMBL12988195 0.78 MITF (0.49) MITFEPHX2NR1H4IMPDH2NPC1
SCHEMBL3225051 0.78 MITF (0.53) MITFNPC1RAB9AKDM4EALDH1A1
SCHEMBL13753493 0.78 MITF (0.50) MITFIMPDH2NPC1KDM4EALDH1A1
SCHEMBL3229079 0.77 HTT (0.55) MITFNPC1RAB9AKDM4EALDH1A1
SCHEMBL12321783 0.76 MITF (0.47) MITFEPHX2NR1H4IMPDH2NPC1

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
US-8865703-B2 Pyridyltriazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-21 US disclosed
US-20130225562-A1 PYRIDYLTRIAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC MITF 610/4885EPHX2 2830/4885NR1H4 329/4885
US-20130225562-A1 PYRIDYLTRIAZOLES CCNT1, CCNT2, MKI67 MITF 787/4885EPHX2 3939/4885NR1H4 1010/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MITF 1652/4885EPHX2 2299/4885NR1H4 109/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MITF 1652/4885EPHX2 2299/4885NR1H4 109/4885

“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.