SCHEMBL8269604

SCHEMBL8269604

CCc1cccc(NC(=O)c2ccc(CN)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
NR1H4 Q96RI1 1/20 0.54
HPSE Q9Y251 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
POLB P06746 1/20 0.53
BLM P54132 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52

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
SCHEMBL28200510 0.96 SIRT2 (0.57) ALDH1A1SIRT2SIRT1SIRT3TRPV1
SCHEMBL17683761 0.87 ALDH1A1 (0.57) ALDH1A1SIRT2SIRT1SIRT3TRPV1
SCHEMBL8462054 0.87 NR1H4 (0.59) ALDH1A1NR1H4HPSESMN1; SMN2MAPT
SCHEMBL12314962 0.86 KCNK9 (0.69) ALDH1A1SIRT1NR1H4SMN1; SMN2MAPT
SCHEMBL13779847 0.86 TRPV1 (0.66) ALDH1A1TRPV1SMN1; SMN2KMT2AMEN1
SCHEMBL9979193 0.86 ALDH1A1 (0.62) ALDH1A1NR1H4SMN1; SMN2MAPTKMT2A
SCHEMBL21449753 0.85 KMT2A (0.70) ALDH1A1NR1H4SMN1; SMN2MAPTKMT2A
SCHEMBL28197185 0.84 PLAU (0.60) TRPV1SMN1; SMN2MAPTKMT2AMEN1
SCHEMBL12597164 0.84 KMT2A (0.62) NR1H4HPSEMAPTKMT2AMEN1
SCHEMBL7295812 0.84 NR1H4 (0.76) ALDH1A1SIRT2SIRT1SIRT3NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto MYRIAD PHARMACEUTICALS, INC. (US) 2004-01-22 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 (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-20040014763-A1 beta-sheet mimetics and composition and methods relating thereto TPSAB1, TPSB2, TPSD1 ALDH1A1 3287/4885SIRT2 4128/4885SIRT1 3653/4885

“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.