SCHEMBL4518903

SCHEMBL4518903

[NH]C(=S)Nc1ccc2cc[nH]c2c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.52
ESR1 P03372 5/20 0.52
MAOB P27338 7/20 0.49
TYR P14679 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
PYGL P06737 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
CFTR P13569 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRA6 Q16445 1/20 0.45

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
SCHEMBL4526884 0.86 MAOB (0.65) MAOAMAOBNPC1MAPTRAB9A
SCHEMBL31668679 0.84 MAOA (0.67) MAOAESR1MAOBNPC1MAPT
SCHEMBL4518907 0.83 ESR1 (0.52) MAOAESR1MAOBTYRNPC1
SCHEMBL22803724 0.79 ESR1 (0.63) MAOAESR1TYRNPC1MAPT
SCHEMBL31668714 0.77 ESR1 (0.61) MAOAESR1MAOBNPC1MAPT
SCHEMBL4892478 0.77 ESR1 (0.61) MAOAESR1TYRNPC1MAPT
SCHEMBL5490235 0.76 ESR1 (0.60) MAOAESR1TYRNPC1MAPT
SCHEMBL13135962 0.76 MAOA (0.64) MAOAESR1MAOBNPC1MAPT
Hydrochloric Acid SCHEMBL30940022 0.76 ESR1 (0.60) MAOAESR1TYRNPC1MAPT
SCHEMBL13537214 0.76 TYR (0.55) MAOAESR1TYR

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-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 MAOA 2917/4885ESR1 1794/4885MAOB 2635/4885

“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.