SCHEMBL10110709

SCHEMBL10110709

Cc1ccc(CCCCNC(=O)OCc2ccccc2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TGM2 P21980 1/20 0.53
CASP1 P29466 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL707237 0.87 HTT (0.56) HTTTGM2L3MBTL1LMNASMN1; SMN2
SCHEMBL15834318 0.83 HTT (0.50) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL10110708 0.82 SLC2A1 (0.52) HTTTGM2L3MBTL1LMNASMN1; SMN2
SCHEMBL10115731 0.81 MAPT (0.52) HTTTGM2L3MBTL1LMNASMN1; SMN2
SCHEMBL15804482 0.81 DPP8 (0.53) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15802500 0.81 DPP8 (0.55) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15802546 0.81 TGM2 (0.48) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.80 HTT (0.81) HTTTGM2L3MBTL1LMNASMN1; SMN2
SCHEMBL705283 0.80 HTT (0.49) HTTTGM2L3MBTL1LMNASMN1; SMN2
SCHEMBL6746741 0.79 LMNA (0.61) HTTTGM2L3MBTL1LMNASMN1; 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-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2014-01-30 US disclosed
US-8575176-B2 Heteroaromatic pyrazinoylguanidine sodium channel blockers PARION SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2012-05-10 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 (2 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-20120116083-A1 HETEROAROMATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS HCN4, SCN2B, KCNH1 HTT 554/4885TGM2 3693/4885CASP1 2063/4885
US-20140031371-A1 POLY AROMATIC SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCNN1B HTT 723/4885TGM2 4711/4885CASP1 2496/4885

“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.