SCHEMBL12376722

SCHEMBL12376722

CC(C)NC(=O)c1ccc(=O)[nH]c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
RORC P51449 2/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.49
EPHX2 P34913 2/20 0.49
MLYCD O95822 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL447082 0.79 L3MBTL1 (0.51) SMN1; SMN2GAAKMT2AMEN1RAB9A
SCHEMBL13702122 0.79 ERN1 (0.57)
SCHEMBL8590217 0.78 MLYCD (0.70) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL6918970 0.77 L3MBTL1 (0.53) SMN1; SMN2GAAKMT2AMEN1MAPT
SCHEMBL246545 0.76 POLB (0.73) KMT2AALDH1A1MEN1MAPTRAB9A
SCHEMBL13890743 0.76 GAA (0.46) SMN1; SMN2GAAKMT2AALDH1A1RORC
SCHEMBL28192657 0.76 L3MBTL1 (0.55) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL10745547 0.75 CA12 (0.55) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL12561259 0.75 L3MBTL1 (0.59) SMN1; SMN2GAAKMT2AALDH1A1MEN1
SCHEMBL13701751 0.75 KMT2A (0.48) SMN1; SMN2GAAKMT2AMEN1RAB9A

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 8 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-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

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 SMN1; SMN2 2264/4885GAA 1103/4885KMT2A 4415/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 SMN1; SMN2 1840/4885GAA 2295/4885KMT2A 4800/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 SMN1; SMN2 1840/4885GAA 2295/4885KMT2A 4800/4885

“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.