SCHEMBL6281340

SCHEMBL6281340

CC(NC(=S)Nc1nccs1)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.57
NFKB1 P19838 2/20 0.57
HTT P42858 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
MTOR P42345 1/20 0.57

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
SCHEMBL6284560 0.76 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6284442 0.74 NPC1 (0.57) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6281076 0.74 NPC1 (0.52) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL1321656 0.73 ALDH1A1 (1.00) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL31060951 0.73 ALDH1A1 (0.60) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL8687284 0.73 RAB9A (0.58) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4249912 0.72 ALDH1A1 (0.97) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6952333 0.72 PKM (0.57) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6952330 0.72 PKM (0.57) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL6963164 0.71 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960606-B2 Adamantyl Thiazole Thioureas PARKER HUGHES INSTITUTE (US) 2005-11-01 US disclosed
US-20030207921-A1 Aromatic and heterocyclic thiazolyl thiourea compounds and use PARKER HUGHES INSTITUTE (US) 2003-11-06 US disclosed
EP-1326852-A1 AROMATIC AND HETEROCYCLIC THIAZOLYL THIOUREA COMPOUNDS AND USE Parker Hughes Institute (US) 2003-07-16 EP disclosed
WO-2002032889-A1 AROMATIC AND HETEROCYCLIC THIAZOLYL THIOUREA COMPOUNDS AND USE PARKER HUGHES INSTITUTE (US) 2002-04-25 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 (1 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-20030207921-A1 Aromatic and heterocyclic thiazolyl thiourea compounds and use TYMP, PNP, TPMT NPC1 985/4885RAB9A 2750/4885LMNA 4721/4885

“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.