SCHEMBL1207623

SCHEMBL1207623

N#Cc1c(NC(=O)C=Cc2cccnc2)sc2c1CCC(OC(=O)NCCN1CCOCC1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
TGFBR1 P36897 1/20 0.40
NAMPT P43490 4/20 0.39
PTPN5 P54829 1/20 0.39
POLB P06746 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NR0B1 P51843 1/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ICAM1 P05362 1/20 0.36

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
SCHEMBL12882566 1.00 KMT2A (0.42) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL1208355 0.89 TGFBR1 (0.44) KMT2ATGFBR1PTPN5POLBALDH1A1
SCHEMBL12882556 0.89 TGFBR1 (0.44) KMT2ATGFBR1PTPN5POLBALDH1A1
SCHEMBL12882553 0.89 PTPN5 (0.42) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL1208185 0.89 PTPN5 (0.42) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL1209211 0.88 PTPN5 (0.46) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL12895239 0.88 PTPN5 (0.46) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL12882610 0.88 TGFBR1 (0.40) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL1209281 0.88 TGFBR1 (0.40) KMT2ATGFBR1NAMPTPTPN5POLB
SCHEMBL12882711 0.88 TGFBR1 (0.42) KMT2ATGFBR1NAMPTPTPN5POLB

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 KMT2A 2064/4885TGFBR1 1167/4885NAMPT 925/4885

“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.