SCHEMBL5464069

SCHEMBL5464069

O=C(Nc1nccc(-c2cccc(C(F)(F)F)c2)n1)c1cccs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
GAA P10253 3/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ABL1 P00519 2/20 0.57
PDGFRB P09619 1/20 0.57
SRC P12931 1/20 0.57
PDGFRA P16234 1/20 0.57
KMO O15229 1/20 0.54
MAPT P10636 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
KMT2A Q03164 2/20 0.49
CNR2 P34972 1/20 0.47
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46

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
SCHEMBL5465327 0.84 ALDH1A1 (0.65) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL5472912 0.83 RAB9A (0.74) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL5465537 0.82 KMO (0.61) ALDH1A1ABL1PDGFRBSRCPDGFRA
SCHEMBL5463021 0.81 ABL1 (0.66) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL5466020 0.80 RAB9A (0.67) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL5471802 0.80 RAB9A (0.60) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL5465929 0.80 NPC1 (0.70) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL1030750 0.79 RXFP1 (0.55) ALDH1A1GAANPC1RAB9AABL1
SCHEMBL5477991 0.79 SMN1; SMN2 (0.61) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL5467105 0.78 RAB9A (0.70) ALDH1A1GAANPC1RAB9ASMN1; SMN2

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 ALDH1A1 2447/4885GAA 3044/4885NPC1 1950/4885

“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.