SCHEMBL12376668

SCHEMBL12376668

CC(C)(C)NC(=O)COCc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ANO1 Q5XXA6 1/20 0.46
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
PKM P14618 1/20 0.45
CYP3A4 P08684 2/20 0.44
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
HPGD P15428 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL12848411 0.84 MAOA (0.49) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL13101597 0.82 MAPT (0.65) MAPTMAOAMAOBHPGDLMNA
SCHEMBL12376667 0.82 MAPT (0.55) MAPTHPGDLMNAHTTALDH1A1
SCHEMBL12411825 0.82 MAOA (0.47) MAPTMAOAMAOBCYP3A4IDO1
SCHEMBL12848458 0.81 SMN1; SMN2 (0.52) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL27627079 0.80 HCAR2 (0.52) MAPTANO1MAOAMAOBPKM
SCHEMBL16542338 0.79 MAOB (0.56) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL7649330 0.78 CETP (0.55) MAPTLMNAHTTALDH1A1KDM4E
SCHEMBL2284663 0.77 RXRA (0.55) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL30900622 0.77 RXRA (0.55) MAOAMAOBCYP3A4IDO1AGXT

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 6 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-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 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 (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 MAPT 4444/4885ANO1 3386/4885MAOA 2170/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MAPT 538/4885ANO1 3821/4885MAOA 1910/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK MAPT 329/4885ANO1 4128/4885MAOA 1118/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MAPT 538/4885ANO1 3821/4885MAOA 1910/4885

“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.