SCHEMBL4516284

SCHEMBL4516284

COc1ccccc1N1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)sc2CCC(=O)c2ccc(O)c(C)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.44
TACR3 P29371 1/20 0.44
TACR1 P25103 2/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD4 P21917 2/20 0.42
DRD2 P14416 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL4520889 0.90 MAPT (0.46) ALDH1A1MAPTHTTKMT2APOLB
SCHEMBL4503200 0.89 PPARD (0.51) HTR1ATACR3TACR1
SCHEMBL4523286 0.89 CACNA1G (0.42) ALDH1A1MAPTHTTKMT2APOLB
SCHEMBL4498481 0.89 POLB (0.44) MAPTHTTKMT2APOLBSMN1; SMN2
SCHEMBL4515600 0.88 CETP (0.46) MAPTKMT2A
SCHEMBL4524332 0.88 PPARD (0.42) HTR1ATACR3TACR1ALDH1A1MAPT
SCHEMBL4523435 0.87 STAT3 (0.46) KMT2A
SCHEMBL4501707 0.87 CETP (0.44) ALDH1A1MAPT
SCHEMBL4521400 0.86 CETP (0.44) MAPTHTTPOLBSMN1; SMN2
SCHEMBL4502243 0.85 PRKAA2 (0.48) MAPTKMT2A

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-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor NIPPON CHEMIPHAR CO., LTD. (JP) 2009-08-13 US disclosed
EP-1897872-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2008-03-12 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-20090203908-A1 Activator for Peroxisome Proliferator-Activated Receptor PPARA, PPARG, PPARD HTR1A 3048/4885TACR3 2435/4885TACR1 916/4885

“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.