SCHEMBL1554791

SCHEMBL1554791

O=C(O)c1c(-c2ccccc2)csc1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
AR P10275 1/20 0.46
SCN2A Q99250 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KMT2A Q03164 11/20 0.43
MEN1 O00255 10/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
NLRP3 Q96P20 1/20 0.42
PKM P14618 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL1554635 0.92 MEN1 (0.48) ALDH1A1ARSCN2ACA12CA1
SCHEMBL1553831 0.90 MEN1 (0.46) ALDH1A1ARSCN2ACA12CA1
SCHEMBL1553923 0.90 AR (0.49) ALDH1A1ARKMT2AMEN1SMN1; SMN2
SCHEMBL1553944 0.87 POLB (0.44) ALDH1A1ARSCN2ACA12CA1
SCHEMBL4563209 0.87 KMT2A (0.42) ALDH1A1SCN2AKMT2AMEN1SMN1; SMN2
SCHEMBL1553395 0.87 AR (0.52) ALDH1A1ARKMT2AMEN1SMN1; SMN2
SCHEMBL1554631 0.87 LMNA (0.42) ALDH1A1ARKMT2AMEN1LMNA
SCHEMBL1553601 0.87 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL1554744 0.87 HSD17B10 (0.47) ALDH1A1ARCA12CA1CA9
SCHEMBL3972241 0.86 MEN1 (0.46) ALDH1A1SCN2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383463-B1 FUSED THIOPHENE COMPOUNDS AND USE THEREOF IN THE TREATMENT OF CHRONIC PAIN KING PHARMACEUTICALS INC (US) 2011-04-27 EP disclosed
EP-1383463-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS INC (US) 2009-03-25 EP disclosed
US-7449490-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-11-11 US disclosed
US-7101905-B2 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH & DEVELOPMENT, INC. (US) 2006-09-05 US disclosed
US-20060183921-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-08-17 US disclosed
EP-1383463-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE King Pharmaceuticals, Inc. (US) 2004-01-28 EP disclosed
US-20030073733-A1 Pharmaceutically active compounds and methods of use KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-04-17 US disclosed
WO-2002083083-A2 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE KING PHARMACEUTICALS, INC. (US) 2002-10-24 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 (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-20060183921-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE ALDH1A1 1591/4885AR 4680/4885SCN2A 354/4885
US-20030073733-A1 Pharmaceutically active compounds and methods of use TRPV1, TPMT, ACHE ALDH1A1 1591/4885AR 4680/4885SCN2A 354/4885

“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.