SCHEMBL5472912

SCHEMBL5472912

O=C(Nc1nccc(-c2ccccc2)n1)c1cccs1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.74
NPC1 O15118 5/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
ALDH1A1 P00352 3/20 0.74
GAA P10253 2/20 0.74
ABL1 P00519 1/20 0.61
PDGFRB P09619 1/20 0.61
SRC P12931 1/20 0.61
PDGFRA P16234 1/20 0.61
KMT2A Q03164 6/20 0.61
MEN1 O00255 4/20 0.61
HTT P42858 3/20 0.61
MAPK1 P28482 3/20 0.61
TP53 P04637 2/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
HSD17B10 Q99714 1/20 0.61
KDM4E B2RXH2 3/20 0.60
PKM P14618 2/20 0.60
HPGD P15428 1/20 0.60

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
SCHEMBL5473477 0.89 NPC1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5467105 0.89 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5465929 0.89 NPC1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5466020 0.87 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5471757 0.86 NPC1 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5472432 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5471285 0.86 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5465327 0.86 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5472905 0.85 NPC1 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5477991 0.83 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099938-A1 Antistress drug and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-03 US disclosed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP 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-20070099938-A1 Antistress drug and medical use thereof NPSR1, MC2R, SRR RAB9A 3039/4885NPC1 1950/4885SMN1; SMN2 2306/4885

“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.