SCHEMBL7067447

SCHEMBL7067447

COC(=S)c1cc(Cl)nc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMO O15229 1/20 0.30

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
SCHEMBL7070159 0.79 POLB (0.30) GAAPOLB
SCHEMBL3641920 0.78 KDM4E (0.44) NPC1RAB9AKDM4EMAPTNPSR1
SCHEMBL1223850 0.78 KMT2A (0.40) NPC1RAB9AKDM4EMAPTKMT2A
SCHEMBL985142 0.71 KMO (0.39) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL30528409 0.71 KMO (0.39) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL9196203 0.71 KMO (0.54) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL31224327 0.70 BAZ2B (0.47) NPC1RAB9AGAAPOLB
SCHEMBL113085 0.70
Hydrochloric Acid SCHEMBL2192452 0.69 KMO (0.53) NPC1RAB9AKDM4EMAPTLMNA
SCHEMBL31191303 0.69 CLK1 (0.35) RAB9AKDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US disclosed
US-4144339-A TREATMENT OF BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1979-03-13 US disclosed
US-4138487-A NEMATOCIDES RHONE-POULENC INDUSTRIES (FR) 1979-02-06 US disclosed
US-4110450-A BILHARZIASIS RHONE-POULENC INDUSTRIES (FR) 1978-08-29 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 (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-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD NPC1 2880/4885RAB9A 3879/4885KDM4E 352/4885

“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.