SCHEMBL135598

SCHEMBL135598

Cc1ccc(C(=O)c2c(N)sc(C)c2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.75
MAPT P10636 7/20 0.75
LMNA P02545 6/20 0.75
ADORA1 P30542 2/20 0.58
GAA P10253 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
HPGD P15428 4/20 0.52
GRM6 O15303 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 3/20 0.49
NPC1 O15118 1/20 0.49
ALOX12 P18054 1/20 0.49
NFKB1 P19838 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL881267 0.86 ALDH1A1 (0.71) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL20280436 0.86 ALDH1A1 (0.71) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL871700 0.86 ALDH1A1 (0.71) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL18551034 0.86 MAPT (0.71) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL1638729 0.86 ALDH1A1 (1.00) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL7490234 0.85 MAPT (0.69) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL21847260 0.81 ALDH1A1 (0.63) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL21847237 0.81 ALDH1A1 (0.63) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL133651 0.80 ALDH1A1 (0.50) ALDH1A1MAPTLMNAADORA1GAA
SCHEMBL133336 0.80 ALDH1A1 (0.50) ALDH1A1MAPTLMNAADORA1GAA

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
EP-3936507-A1 COMPOUNDS HAVING BOTH EFFECTS OF BET BROMODOMAIN PROTEIN INHIBITION AND PD-L1 GENE REGULATION Medshine Discovery Inc. (CN) 2022-01-12 EP disclosed
WO-2018109053-A1 PROCESS FOR THE MANUFACTURE OF DIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2018-06-21 WO disclosed
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 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 (3 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-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 ALDH1A1 2055/4885MAPT 2384/4885LMNA 4876/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS ALDH1A1 1925/4885MAPT 2061/4885LMNA 3907/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS ALDH1A1 1925/4885MAPT 2061/4885LMNA 3907/4885

“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.