SCHEMBL15840807

SCHEMBL15840807

O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2cccc(Cl)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
PPIA P62937 4/20 0.67
GPR27 Q9NS67 3/20 0.61
CYP19A1 P11511 1/20 0.60
MEN1 O00255 1/20 0.58
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
KMT2A Q03164 1/20 0.58
CES1 P23141 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
AVPR2 P30518 1/20 0.56
IDH1 O75874 1/20 0.55

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
SCHEMBL15840632 0.95 ALDH1A1 (0.74) ALDH1A1PPIAGPR27MEN1MAOA
SCHEMBL15840711 0.89 ALDH1A1 (0.74) ALDH1A1PPIAGPR27MEN1KMT2A
SCHEMBL25132396 0.89 ALDH1A1 (0.74) ALDH1A1PPIAGPR27MEN1KMT2A
SCHEMBL15840705 0.86 PPIA (0.78) ALDH1A1PPIAGPR27MEN1KMT2A
SCHEMBL15840630 0.86 MAPT (0.68) ALDH1A1PPIAGPR27MEN1KMT2A
SCHEMBL11067896 0.84 ALDH1A1 (0.78) ALDH1A1MEN1MAOAMAOBKMT2A
SCHEMBL15840648 0.83 ALDH1A1 (0.62) ALDH1A1PPIAGPR27LMNAMAPT
SCHEMBL15840633 0.83 ALDH1A1 (0.71) ALDH1A1PPIAGPR27MEN1KMT2A
SCHEMBL15840811 0.83 MAPT (0.70) ALDH1A1PPIAMEN1KMT2ALMNA
SCHEMBL15840818 0.82 PPIA (0.74) ALDH1A1PPIAMEN1KMT2ACES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALDH1A1 4348/4885PPIA 1884/4885GPR27 914/4885

“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.