SCHEMBL12835481

SCHEMBL12835481

CC1CCC(C(=O)Nc2cccc(C#N)c2)C(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
TP53 P04637 1/20 0.48
GRIN2B Q13224 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 1/20 0.48
GRK2 P25098 1/20 0.48
CASP6 P55212 1/20 0.48
CASP8 Q14790 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
APEX1 P27695 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.44
PDK1 Q15118 1/20 0.44

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
SCHEMBL13989030 0.85 TRPM8 (0.57) KMT2ATP53GRIN2BTSHRALDH1A1
SCHEMBL12172851 0.83 NPSR1 (0.57) TP53L3MBTL1GRK2CASP6CASP8
SCHEMBL12835475 0.81 ALDH1A1 (0.64) KMT2AL3MBTL1GRK2CASP6CASP8
SCHEMBL12835232 0.80 TDP1 (0.49) L3MBTL1GRK2CASP6CASP8CTDSP1
SCHEMBL12172899 0.80 SMN1; SMN2 (0.60) KMT2ATP53L3MBTL1GRK2CASP6
SCHEMBL12190079 0.79 RXFP1 (0.53) KMT2ATP53GRIN2BL3MBTL1GRK2
SCHEMBL12172885 0.78 TRPM8 (0.48) L3MBTL1GRK2CASP6CASP8CTDSP1
SCHEMBL13927150 0.77 TDP1 (0.58) KMT2AL3MBTL1GRK2CASP6CASP8
SCHEMBL4599396 0.76 TP53 (0.69) KMT2ATP53TSHRALDH1A1MAPT
SCHEMBL12172870 0.76 GAA (0.73) KMT2AALDH1A1MEN1HTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-29 US disclosed
US-8859620-B2 Phthalanilate compounds and methods of use UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-10-14 US disclosed
WO-2011026107-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-03-03 WO 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 (1 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-20150031663-A1 PHTHALANILATE COMPOUNDS AND METHODS OF USE MPO, ALPI, NQO1 KMT2A 1142/4885TP53 2935/4885GRIN2B 3212/4885

“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.