SCHEMBL2579648

SCHEMBL2579648

COc1ccc(N2CCN(c3ccc(OC)cc3)C2=S)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
RAB9A P51151 3/20 0.44

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
Hydrochloric Acid SCHEMBL2579274 0.96 GAA (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
Thiourea SCHEMBL2584115 0.91 POLB (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL16789887 0.83 HTR3E (0.52) HTR3EHTR3BADRB1HTR3AHTR3D
Trifluoromethanesulfonic Acid SCHEMBL2584928 0.82 NOX4 (0.50) CA12CA1CA2CA7CA9
SCHEMBL11178945 0.79 SIGMAR1 (0.54) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL16786533 0.76 ACHE (0.58) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL12427204 0.73 NOX4 (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL2046118 0.72 POLB (0.61) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4793606 0.71 HTR3E (0.59) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL14570546 0.71 POLB (0.50) POLBL3MBTL1GAANPSR1RAB9A

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-8722897-B2 Metal complexes of thiourea and derivatives as metal delivering anti-cancer and anti-inflammatory agents GOLDPORP PHARMA LIMITED (CN) 2014-05-13 US disclosed
US-8722897-B2 Metal complexes of thiourea and derivatives as metal delivering anti-cancer and anti-inflammatory agents GOLDPORP PHARMA LIMITED (CN) 2014-05-13 US disclosed
WO-2011134275-A1 METAL COMPLEXES OF THIOUREA AND THEIR DERIVATIVES AS METAL DELIVERING ANTI-CANCER AND ANTI-INFLAMMATORY AGENTS CHE CHI-MING (CN) 2011-11-03 WO disclosed
US-20110269730-A1 Metal Complexes of Thiourea and Derivatives as Metal Delivering Anti-Cancer and Anti-Inflammatory Agents GOLDPORP PHARMA LIMITED (CN) 2011-11-03 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-20110269730-A1 Metal Complexes of Thiourea and Derivatives as Metal Delivering Anti-Cancer and Anti-Inflammatory Agents CLIC1, SLC30A5, TIA1 HTR3E 3637/4885HTR3B 4099/4885ADRB1 1370/4885

“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.