SCHEMBL12376632

SCHEMBL12376632

Cc1ccc(NC(=O)C2(C(=O)NC(C)(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.46
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 5/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43
RAB9A P51151 5/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 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
SCHEMBL30074425 0.88 TDP1 (0.55) METLMNATDP1NPC1ALDH1A1
SCHEMBL13342364 0.86 EGFR (0.47) METLMNANPC1ALDH1A1RAB9A
SCHEMBL2605753 0.86 CYP2C9 (0.44) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL24444629 0.82 LMNA (0.58) METLMNATDP1NPC1ALDH1A1
SCHEMBL17997311 0.82 MET (0.49) METLMNATDP1NPC1ALDH1A1
SCHEMBL13115623 0.81 ALDH1A1 (0.63) METLMNATDP1NPC1ALDH1A1
SCHEMBL29331942 0.81 MEN1 (0.54) METLMNATDP1NPC1ALDH1A1
SCHEMBL26074438 0.81 MET (0.46) METLMNATDP1NPC1ALDH1A1
SCHEMBL15144367 0.80 LMNA (0.52) METLMNATDP1NPC1ALDH1A1
SCHEMBL26178899 0.80 TDP1 (0.55) METLMNATDP1NPC1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 MET 142/4885LMNA 4174/4885TDP1 1038/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MET 357/4885LMNA 1962/4885TDP1 1464/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MET 357/4885LMNA 1962/4885TDP1 1464/4885

“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.