SCHEMBL5370617

SCHEMBL5370617

COC(=O)c1sc(-c2ccc(C)cc2)cc1N

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.76
KDM4E B2RXH2 9/20 0.76
RAB9A P51151 7/20 0.76
NPC1 O15118 6/20 0.76
IKBKB O14920 5/20 0.76
CASP3 P42574 2/20 0.76
SENP8 Q96LD8 2/20 0.76
SENP7 Q9BQF6 2/20 0.76
SENP6 Q9GZR1 2/20 0.76
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
ALDH1A1 P00352 5/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.63
TP53 P04637 1/20 0.63
TUBB4A P04350 2/20 0.61
TUBB P07437 2/20 0.61
TUBA3C P0DPH7 2/20 0.61
TUBA1B P68363 2/20 0.61
TUBA4A P68366 2/20 0.61

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
SCHEMBL10070140 0.89 MAPT (0.78) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL5195941 0.88 KDM4E (0.76) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL1531346 0.87 MAPT (1.00) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL1724239 0.87 IKBKB (1.00) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL431794 0.86 MAPT (0.74) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL17268776 0.85 MAPT (0.80) MAPTKDM4ERAB9ANPC1IKBKB
Hydrochloric Acid SCHEMBL8864118 0.85 MAPT (0.72) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL16425576 0.84 MAPT (0.56) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL14975506 0.84 KDM4E (0.71) MAPTKDM4ERAB9ANPC1IKBKB
SCHEMBL5192819 0.84 MAPT (0.71) MAPTKDM4ERAB9ANPC1IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989433-B2 Substituted thieno[3,2-D]pyrimidines as melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-02 US disclosed
US-20090298794-A1 HYDROXY SUBSTITUTED THIENO PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-12-03 US disclosed
US-7268164-B2 Anti-epileptogenic agents QUEENS UNIVERSITY AT KINGSTON (CA) 2007-09-11 US disclosed
CN-1774635-A Anti-epileptogenic agents UNIV KINGSTON (CA) 2006-05-17 CN disclosed
US-6930112-B2 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON (CA) 2005-08-16 US disclosed
US-20030229144-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2003-12-11 US disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
US-20020025949-A1 Anti-epileptogenic agents QUEEN'S UNIVERSITY AT KINGSTON 2002-02-28 US disclosed
US-6306909-B1 AMINOACID DERIVATIVES AND ESTERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-23 US disclosed
EP-0969823-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-01-12 EP disclosed
WO-1998040055-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 1998-09-17 WO 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 (4 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-20030229144-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 MAPT 1914/4885KDM4E 1626/4885RAB9A 1636/4885
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 MAPT 1038/4885KDM4E 1615/4885RAB9A 1903/4885
US-20020025949-A1 Anti-epileptogenic agents CA3, GAP43, GRIK5 MAPT 1914/4885KDM4E 1626/4885RAB9A 1636/4885
US-20090298794-A1 HYDROXY SUBSTITUTED THIENO PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MCHR1, MC1R, MCHR2 MAPT 3249/4885KDM4E 2566/4885RAB9A 1612/4885

“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.