SCHEMBL17274151

SCHEMBL17274151

COc1cccc(N(C(N)=S)c2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.45
HTR3B O95264 2/20 0.45
HTR3A P46098 2/20 0.45
HTR3D Q70Z44 2/20 0.45
HTR3C Q8WXA8 2/20 0.45
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
BCL2A1 Q16548 1/20 0.41
PARP1 P09874 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
HSD17B1 P14061 1/20 0.39

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
SCHEMBL2812938 0.86 ALDH1A1 (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28382188 0.74 PARP1 (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29111944 0.73 HPGD (0.47) ALDH1A1NPC1RAB9ABCL2A1PARP1
SCHEMBL70822 0.73
SCHEMBL6203985 0.73
SCHEMBL29635640 0.73
SCHEMBL10940472 0.71 HSD17B2 (0.54) HSD17B1HSD17B2
SCHEMBL29111930 0.71 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AMEN1GAA
SCHEMBL30743887 0.71 MTNR1A (0.50) PARP1HSD17B1HSD17B2TP53HTT
SCHEMBL1794813 0.71 ACHE (0.54) ALDH1A1NPC1RAB9AMAPT

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-9387186-B2 Thiourea derivatives CHOUDHARY MUHAMMAD IQBAL (PK) 2016-07-12 US claimed
US-20150335594-A1 THIOUREA DERIVATIVES CHOUDHARY MUHAMMAD IQBAL (PK) 2015-11-26 US claimed
US-9387186-B2 Thiourea derivatives CHOUDHARY MUHAMMAD IQBAL (PK) 2016-07-12 US disclosed
US-9387186-B2 Thiourea derivatives CHOUDHARY MUHAMMAD IQBAL (PK) 2016-07-12 US disclosed
US-20150335594-A1 THIOUREA DERIVATIVES CHOUDHARY MUHAMMAD IQBAL (PK) 2015-11-26 US disclosed
US-20150335594-A1 THIOUREA DERIVATIVES CHOUDHARY MUHAMMAD IQBAL (PK) 2015-11-26 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-20150335594-A1 THIOUREA DERIVATIVES TPMT, TST, NSUN3 HTR3E 2236/4885HTR3B 2089/4885HTR3A 1972/4885

“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.