SCHEMBL4575439

SCHEMBL4575439

COc1ccc(CCNCc2ccc(C(F)(F)F)cc2)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GLA P06280 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HTR2A P28223 10/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HTR2C P28335 1/20 0.51
TMEM97 Q5BJF2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PPARA Q07869 2/20 0.47
PPARD Q03181 1/20 0.47

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
SCHEMBL4109056 0.88 KDM4E (0.71) KDM4EALDH1A1GLATDP1MEN1
SCHEMBL4575242 0.80 TMEM97 (0.46) KDM4ETDP1MEN1KMT2ATMEM97
SCHEMBL3903635 0.79 CA2 (0.49) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4575193 0.79 KDM4E (0.45) KDM4ETDP1HTR2AMEN1KMT2A
SCHEMBL3945922 0.76 KDM4E (0.68) KDM4EALDH1A1GLATDP1MEN1
SCHEMBL14731899 0.75 TMEM97 (0.68) KDM4EGLATDP1TMEM97PPARA
SCHEMBL13359867 0.74 POLB (0.72) KDM4EALDH1A1HTR2AMEN1KMT2A
SCHEMBL4104332 0.74 KDM4E (0.61) KDM4EALDH1A1GLATDP1MEN1
SCHEMBL29885821 0.74 CYP3A4 (0.48) ALDH1A1HTR2AMEN1KMT2A
SCHEMBL1094342 0.74 CYP3A4 (0.48) ALDH1A1HTR2AMEN1KMT2A

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD KDM4E 4112/4885ALDH1A1 645/4885GLA 343/4885

“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.