SCHEMBL5465680

SCHEMBL5465680

CC(=O)Nc1nccc(-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
AAK1 Q2M2I8 3/20 0.42
RAB9A P51151 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CDC7 O00311 1/20 0.41
NPC1 O15118 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 0.40
HTT P42858 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
SYK P43405 1/20 0.40

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
SCHEMBL5470861 0.84 NPSR1 (0.58) CYP1A2CYP2C9ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5477980 0.83 ALDH1A1 (0.43) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL5472814 0.83 CYP1A2 (0.43) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL5477950 0.83 MEN1 (0.56) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL5476994 0.82 CYP17A1 (0.47) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL5460274 0.82 ALDH1A1 (0.55) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL5458575 0.80 GAA (0.52) ALDH1A1SMN1; SMN2RAB9ANPSR1NPC1
SCHEMBL5460284 0.79 ALDH1A1 (0.45) CYP1A2CYP2C9ALDH1A1KDM4EMAPK1
SCHEMBL5467291 0.78 CCNT1 (0.44) CYP1A2CYP2C9ALDH1A1KDM4EAAK1
SCHEMBL5472490 0.78 ALDH1A1 (0.52) CYP1A2CYP2C9ALDH1A1CYP3A4SYK

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 CYP1A2 500/4885CYP2C9 499/4885ALDH1A1 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.