SCHEMBL3067442

SCHEMBL3067442

Cc1ccc2c(C)cc(=S)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 1.00
▸ ALDH1A1 P00352 6/20 0.72
▸ KDM4E B2RXH2 5/20 0.72
▸ HPGD P15428 3/20 0.72
▸ MAPT P10636 3/20 0.72
▸ ALOX15 P16050 2/20 0.72
▸ HSD17B10 Q99714 2/20 0.72
▸ KIF11 P52732 4/20 0.50
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41

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
SCHEMBL3057288 0.84 ALDH1A1 (1.00) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3062966 0.78 RXFP1 (0.64) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL2795205 0.78 KDM4E (0.67) RXFP1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3067032 0.78 ALDH1A1 (1.00) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL29518339 0.75 KIF11 (0.78) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL4256780 0.75 KIF11 (0.78) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL13828017 0.72 KIF11 (0.72) RXFP1MAPTKIF11MEN1KMT2A
SCHEMBL15985685 0.71 KIF11 (0.64) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL10141055 0.68 KIF11 (0.75) RXFP1ALDH1A1KDM4EHPGDMAPT
SCHEMBL20611958 0.68 AHR (0.56) RXFP1ALDH1A1KDM4EHPGDMAPT

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-8399447-B2 Metal triangulo compound and methods of using the same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2013-03-19 — — US disclosed
US-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE 2010-08-19 — — US disclosed
EP-2147005-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME National University of Singapore (SG) 2010-01-27 — — EP disclosed
WO-2008127197-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2008-10-23 — — 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-20100209431-A1 METAL TRIANGULO COMPOUND AND METHODS OF USING THE SAME CASP3, BAX, CASP7 RXFP1 4872/4885ALDH1A1 1447/4885KDM4E 3090/4885

“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.

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