Thiourea

Thiourea

SCHEMBL1991944

NC(N)=S.S=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
KDM4E B2RXH2 2/20 0.73
NOX1 Q9Y5S8 1/20 0.62
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
GAA P10253 2/20 0.60
EPHX1 P07099 1/20 0.58
CNR1 P21554 1/20 0.58
THRB P10828 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 1/20 0.53
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL5445907 0.93 MAPT (0.75) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL8956455 0.93 MAPT (0.75) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL6811504 0.87 RAB9A (0.68) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL6811493 0.85 ALDH1A1 (0.67) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL5081276 0.84 NOX1 (0.85) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL8956349 0.84 NOX1 (0.85) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL3860141 0.84 KDM4E (1.00) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL526059 0.84 MAPT (0.63) MAPTKDM4ENOX1ALDH1A1NPC1
SCHEMBL11060530 0.83 CNR1 (0.70) MAPTKDM4ENOX1ALDH1A1GAA
SCHEMBL11074089 0.83 HTT (0.66) MAPTKDM4ENOX1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists MERCK SHARP & DOHME LTD. (GB) 2011-06-23 US disclosed
US-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 US disclosed
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) MERCK SHARP & DOHME LTD. (GB) 2009-09-17 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 MAPT 3420/4885KDM4E 4094/4885NOX1 1923/4885
US-20090233947-A1 2,3-Substituted fused bicyclic pyrimidin-4(3H)-ones which modulating the function of the vanilloid -1 receptor (VR1) TRPV1, TRPV2, TRPV3 MAPT 4073/4885KDM4E 4297/4885NOX1 2427/4885
US-20110152242-A1 2,3-Substituted Fused Pyrimidin -4 (3H)-Ones as VR1 Antagonists NR2C2, NR3C2, NR2E3 MAPT 4878/4885KDM4E 4398/4885NOX1 402/4885

“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.