SCHEMBL4551270

SCHEMBL4551270

NC(N)=NC(=S)Nc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.70
RAB9A P51151 5/20 0.70
NPC1 O15118 4/20 0.70
ALDH1A1 P00352 5/20 0.67
TAS2R38 P59533 3/20 0.59
HSD17B10 Q99714 2/20 0.59
TP53 P04637 1/20 0.59
TYR P14679 1/20 0.59
TSHR P16473 1/20 0.59
CYP3A4 P08684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NOX1 Q9Y5S8 1/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
CYP2D6 P10635 1/20 0.47
SLC6A2 P23975 1/20 0.47

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
SCHEMBL15740342 0.80 NPC1 (1.00) GAARAB9ANPC1ALDH1A1TP53
SCHEMBL3073447 0.78 ALDH1A1 (0.70) GAARAB9ANPC1ALDH1A1TAS2R38
Phenylthiourea SCHEMBL42753 0.75 ALDH1A1 (1.00) GAARAB9ANPC1ALDH1A1TAS2R38
Phenylthiourea SCHEMBL11820844 0.75 ALDH1A1 (1.00) GAARAB9ANPC1ALDH1A1TAS2R38
SCHEMBL8392510 0.74 ALDH1A1 (0.62) GAARAB9ANPC1ALDH1A1TAS2R38
SCHEMBL8391724 0.74 ALDH1A1 (0.56) GAARAB9ANPC1ALDH1A1TAS2R38
SCHEMBL3069803 0.74 ALDH1A1 (0.56) GAARAB9ANPC1ALDH1A1TAS2R38
SCHEMBL8397036 0.74 ALDH1A1 (0.56) GAARAB9ANPC1ALDH1A1TAS2R38
SCHEMBL8394851 0.74 ALDH1A1 (0.56) GAARAB9ANPC1ALDH1A1TAS2R38
Phenylthiourea SCHEMBL22494152 0.73 ALDH1A1 (0.95) GAARAB9ANPC1ALDH1A1TAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025040778-A1 RUMINANT FEED ADDITIVE COMPOSITIONS HAVING METHANE INHIBITION PROPERTIES YARA INTERNATIONAL ASA (NO) 2025-02-27 WO disclosed
EP-4512251-A1 RUMINANT FEED ADDITIVE COMPOSITIONS HAVING METHANE INHIBITION PROPERTIES Yara International ASA (NO) 2025-02-26 EP disclosed
US-8829014-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-09-09 US disclosed
EP-2007393-B1 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS UNIV LOUISIANA STATE (US) 2013-08-21 EP disclosed
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers GIORDANO ANTHONY (US) 2012-11-08 US disclosed
US-8217037-B2 Thiazole and thiophene analogues, and their use in treating autoimmune diseases and cancers BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers B.V. PATEL PHARMACEUTICAL EDUCATION & RESEARCH DEVELOPMENT (PERD) CENTRE (IN) 2009-12-10 US disclosed
EP-2007393-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS Board Of Supervisors Of Louisiana State University And Agricultural And Mechanical College (US) 2008-12-31 EP disclosed
WO-2007118149-A2 THIAZOLE AND THIOPHENE ANALOGUES, AND THEIR USE IN TREATING AUTOIMMUNE DISEASES AND CANCERS BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL LOLLEGE (US) 2007-10-18 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-20090306073-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB GAA 3490/4885RAB9A 3231/4885NPC1 3673/4885
US-20120283268-A1 Thiazole and Thiophene Analogues, and Their Use in Treating Autoimmune Diseases and Cancers TPMT, TST, SSB GAA 3490/4885RAB9A 3231/4885NPC1 3673/4885

“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.