SCHEMBL4516073

SCHEMBL4516073

[NH]C(=S)Nc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
RAB9A P51151 7/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 6/20 0.55
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 6/20 0.53
HPGD P15428 2/20 0.51
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
SIGMAR1 Q99720 1/20 0.49
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 2/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL4514584 0.94 ALDH1A1 (0.54) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL10394966 0.83 KDM4E (0.70) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL31119169 0.80 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL651822 0.80 ALDH1A1 (0.61) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL28294642 0.80 ALDH1A1 (0.66) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL516844 0.80 RAB9A (0.65) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL5451716 0.78 MAPT (0.68) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL4508626 0.78 ALDH1A1 (0.42) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL11072593 0.77 NPC1 (0.59) ALDH1A1RAB9AMAPTNPC1MEN1
SCHEMBL1996357 0.76 SIGMAR1 (0.57) ALDH1A1RAB9AMAPTNPC1MEN1

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 ALDH1A1 2810/4885RAB9A 1324/4885MAPT 156/4885

“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.