SCHEMBL5468286

SCHEMBL5468286

COc1ccc(C(F)(F)F)cc1NC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 3/20 0.48
CYP3A4 P08684 2/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
HTR6 P50406 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MC4R P32245 1/20 0.45
RXFP1 Q9HBX9 2/20 0.44
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 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
SCHEMBL5455099 0.86 MAPT (0.65) MAPTMAPK1NPSR1KDM4ECYP1A2
SCHEMBL24749851 0.86 RAF1 (0.47) MAPTMAPK1NPSR1KDM4EKMT2A
SCHEMBL5470228 0.85 MAPT (0.72) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL28179876 0.84 MAPT (0.55) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL20042462 0.84 KDM4E (0.48) MAPTKDM4EALDH1A1HPGDCYP1A2
SCHEMBL19980331 0.81 MAPT (0.66) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL2755833 0.80 DDB1 (0.49) MAPTMAPK1KDM4EALDH1A1HPGD
SCHEMBL19677081 0.78 HTT (0.48) MAPTMAPK1NPSR1KDM4EALDH1A1
SCHEMBL7563968 0.78 MAPT (0.50) MAPTMAPK1NPSR1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL29072709 0.78 DDB1 (0.48) MAPTMAPK1KDM4EALDH1A1HPGD

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MAPT 4163/4885MAPK1 256/4885NPSR1 1388/4885

“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.