SCHEMBL5455313

SCHEMBL5455313

Oc1cccc(NC(=S)Nc2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 1.00
ALDH1A1 P00352 7/20 0.68
CYP3A4 P08684 2/20 0.68
TAS2R38 P59533 1/20 0.68
HSD17B10 Q99714 1/20 0.68
GAA P10253 4/20 0.68
LMNA P02545 2/20 0.68
MAOA P21397 2/20 0.68
MAOB P27338 2/20 0.68
MAPT P10636 7/20 0.65
MEN1 O00255 4/20 0.65
KDM4E B2RXH2 2/20 0.65
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
NOX1 Q9Y5S8 1/20 0.63
TSHR P16473 1/20 0.59
IDO1 P14902 1/20 0.54
RRM1 P23921 1/20 0.54
RRM2 P31350 1/20 0.54
RRM2B Q7LG56 1/20 0.54

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
SCHEMBL29726315 1.00 KMT2A (1.00) KMT2AALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL6814454 0.85 KMT2A (0.74) KMT2AALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL132620 0.82 ALDH1A1 (1.00) KMT2AALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL23120126 0.82 KMT2A (0.70) KMT2AALDH1A1GAALMNAMAPT
SCHEMBL2235398 0.81 GAA (1.00) KMT2AALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL9470190 0.80 ALDH1A1 (0.94) KMT2AALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL8956322 0.80 ALDH1A1 (0.94) KMT2AALDH1A1CYP3A4TAS2R38HSD17B10
SCHEMBL6814445 0.80 KMT2A (0.66) KMT2AALDH1A1GAALMNAMAOA
SCHEMBL7098404 0.80 TP53 (0.68) KMT2AALDH1A1CYP3A4HSD17B10LMNA
SCHEMBL5452814 0.79 KMT2A (0.64) KMT2AALDH1A1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED (GB) 2016-12-08 US disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
US-20140031547-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES ELECTROPHORETICS LIMITED 2014-01-30 US disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
US-4048333-A Method for treating a picorna virus infection MEDIZINSKA AKADEMIA (BG) 1977-09-13 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 (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-20140031547-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODE-GENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1G3 KMT2A 1033/4885ALDH1A1 2473/4885CYP3A4 4042/4885
US-20160354375-A1 CASEIN KINASE 1delta (CK 1delta) INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SUCH AS TAUOPATHIES CSNK1G1, CSNK1A1, CSNK1D KMT2A 810/4885ALDH1A1 2638/4885CYP3A4 3226/4885

“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.