SCHEMBL12895660

SCHEMBL12895660

N#Cc1c(NC(=O)/C=C/c2cccnc2)sc2c1CCC(OC(=O)NC1CCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.46
MAPT P10636 7/20 0.44
LMNA P02545 4/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 9/20 0.42
POLB P06746 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPC1 O15118 4/20 0.42
HPGD P15428 3/20 0.42
NR0B1 P51843 1/20 0.42
PTPN5 P54829 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
NAMPT P43490 2/20 0.40
ESR1 P03372 1/20 0.39
OPRK1 P41145 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL1208459 1.00 TGFBR1 (0.46) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL12895650 0.98 TGFBR1 (0.46) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL12895357 0.98 TGFBR1 (0.46) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL1209554 0.98 TGFBR1 (0.46) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL12882551 0.97 TGFBR1 (0.45) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL1209224 0.97 TGFBR1 (0.45) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL1208813 0.94 TGFBR1 (0.43) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL12895246 0.94 TGFBR1 (0.43) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL12895237 0.94 TGFBR1 (0.43) TGFBR1MAPTLMNAGAAALDH1A1
SCHEMBL1208421 0.94 TGFBR1 (0.43) TGFBR1MAPTLMNAGAAALDH1A1

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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES NYCOMED GMBH (DE) 2011-02-24 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-20110044938-A1 TETRAHYDROBENZOTHIOPHENE DERIVATIVES BAX, BCL2, BAD TGFBR1 1167/4885MAPT 865/4885LMNA 3666/4885

“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.