SCHEMBL5458575

SCHEMBL5458575

O=C(Nc1cccc(Cl)c1)Nc1nccc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
NPSR1 Q6W5P4 2/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
XBP1 P17861 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDR P35968 4/20 0.46
TEK Q02763 1/20 0.46
EEF2K O00418 1/20 0.45
PLK1 P53350 1/20 0.45
P2RY1 P47900 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
PAX8 Q06710 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ABL1 P00519 1/20 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
SCHEMBL5477950 0.90 MEN1 (0.56) GAANPSR1MEN1KMT2AMAPT
SCHEMBL5470861 0.90 NPSR1 (0.58) GAANPSR1MEN1KMT2AMAPT
SCHEMBL5465680 0.80 CYP1A2 (0.49) NPSR1HTTSMN1; SMN2ALDH1A1NPC1
SCHEMBL5460274 0.76 ALDH1A1 (0.55) GAANPSR1MEN1KMT2AMAPT
SCHEMBL5472814 0.75 CYP1A2 (0.43) GAANPSR1MEN1KMT2AMAPT
SCHEMBL5470760 0.73 KDM4E (0.42) NPSR1MEN1KMT2AMAPTHTT
SCHEMBL5477980 0.73 ALDH1A1 (0.43) GAALMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL5474606 0.72 MAPT (0.47) NPSR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL5476994 0.72 CYP17A1 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL5470747 0.72 KDR (0.48) NPSR1MEN1KMT2AMAPTLMNA

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 4 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 claimed
EP-1679309-A1 ANTISTRESS DRUG AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP claimed
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 GAA 3044/4885NPSR1 1/4885MEN1 2400/4885

“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.