SCHEMBL6289816

SCHEMBL6289816

COc1ccc(CSc2ccccc2C(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
HTT P42858 3/20 0.57
MCL1 Q07820 1/20 0.53
MAPT P10636 3/20 0.53
HSD17B10 Q99714 1/20 0.51
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
DRD3 P35462 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7760010 0.88 KMT2A (0.76) KMT2AMEN1HTTHSD17B10HPGD
SCHEMBL6293769 0.87 KMT2A (0.61) KMT2AMEN1HTTMCL1MAPT
SCHEMBL6291059 0.81 ALDH1A1 (0.55) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL6290570 0.79 RAB9A (0.67) KMT2AMEN1MAPTHPGDALDH1A1
SCHEMBL7756911 0.78 LMNA (0.54) KMT2AMEN1HTTMAPTHSD17B10
SCHEMBL28326285 0.77 POLB (0.58) KMT2AMEN1MAPTHSD17B10HPGD
SCHEMBL7756917 0.76 KMT2A (0.72) KMT2AMEN1HTTMAPTHSD17B10
SCHEMBL23269308 0.74 HTT (0.74) KMT2AMEN1HTTMCL1MAPT
SCHEMBL7760912 0.74 MEN1 (0.74) KMT2AMEN1HTTMAPTHSD17B10
SCHEMBL3455654 0.73 HTT (1.00) KMT2AMEN1HTTMAPTALDH1A1

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-6951860-B2 Calcium channel blockers MASSACHUSETTS COLLEGE OF PHARMACY (US) 2005-10-04 US disclosed
US-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed
US-20020115655-A1 Such as S-(4-methoxybenzyl)-N-(2-(N',N'-dimethylamino)ethyl) thiosalicylamide; for treatment of cardiovascular disorders MASSACHUSETTS COLLEGE OF PHARMACY 2002-08-22 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-20020115655-A1 Such as S-(4-methoxybenzyl)-N-(2-(N',N'-dimethylamino)ethyl) thiosalicylamide; for treatment of cardiovascular disorders CACNA1G, CACNA1F, CACNA1H KMT2A 2686/4885MEN1 1866/4885HTT 1275/4885

“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.