SCHEMBL5471757

SCHEMBL5471757

CC(=O)Nc1ccc(-c2ccnc(NC(=O)c3cccs3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
GAA P10253 2/20 0.65
JAK2 O60674 8/20 0.61
JAK3 P52333 1/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 3/20 0.57
TP53 P04637 1/20 0.57
PKM P14618 1/20 0.57
HPGD P15428 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PRNP P04156 1/20 0.56
POLB P06746 1/20 0.56
ABL1 P00519 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
SCHEMBL5463021 0.88 ABL1 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5473477 0.87 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5472912 0.86 RAB9A (0.74) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5467105 0.85 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5465929 0.85 NPC1 (0.70) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5472432 0.84 RAB9A (0.65) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5471285 0.82 ALDH1A1 (0.65) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5472892 0.81 JAK2 (0.76) ALDH1A1GAAJAK2JAK3MEN1
SCHEMBL5472905 0.81 NPC1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2GAA
SCHEMBL5466020 0.81 RAB9A (0.67) NPC1RAB9AALDH1A1SMN1; SMN2GAA

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 NPC1 1950/4885RAB9A 3039/4885ALDH1A1 2447/4885

“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.