SCHEMBL5477991

SCHEMBL5477991

O=C(Nc1nccc(-c2ccc(OC(F)(F)F)cc2)n1)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
ALDH1A1 P00352 4/20 0.61
GAA P10253 1/20 0.61
ABL1 P00519 1/20 0.50
PDGFRB P09619 1/20 0.50
SRC P12931 1/20 0.50
PDGFRA P16234 1/20 0.50
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
STK33 Q9BYT3 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMO Q99835 1/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
KDM4E B2RXH2 4/20 0.43
TP53 P04637 4/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL5472432 0.86 RAB9A (0.65) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5465929 0.84 NPC1 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5472912 0.83 RAB9A (0.74) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5462749 0.82 SCN10A (0.54) ABL1SMOSCN10A
SCHEMBL5467105 0.82 RAB9A (0.70) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5473477 0.82 NPC1 (0.70) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5466020 0.80 RAB9A (0.67) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5465964 0.80 RAB9A (0.60) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5471757 0.79 NPC1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1GAA
SCHEMBL5471285 0.79 ALDH1A1 (0.65) SMN1; SMN2NPC1RAB9AALDH1A1GAA

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 SMN1; SMN2 2306/4885NPC1 1950/4885RAB9A 3039/4885

“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.