SCHEMBL5465964

SCHEMBL5465964

COc1ccc2cc(-c3ccnc(NC(=O)c4cccs4)n3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 7/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 1/20 0.60
KDM4E B2RXH2 6/20 0.52
ABL1 P00519 2/20 0.52
PDGFRB P09619 1/20 0.52
SRC P12931 1/20 0.52
PDGFRA P16234 1/20 0.52
TP53 P04637 1/20 0.51
PIK3CA P42336 1/20 0.50
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 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
SCHEMBL5472432 0.91 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5466020 0.88 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5465340 0.86 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5465088 0.84 RAB9A (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5465449 0.83 PIK3CA (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5473477 0.81 NPC1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5477991 0.80 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5472912 0.80 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5467105 0.79 RAB9A (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL5465929 0.79 NPC1 (0.70) 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.