SCHEMBL5198979

SCHEMBL5198979

COC(C)(C)c1ccc(CNCCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ROCK1 Q13464 1/20 0.51
PARP1 P09874 1/20 0.51
SCN8A Q9UQD0 2/20 0.49
TAAR1 Q96RJ0 1/20 0.44
BCHE P06276 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HTR2C P28335 1/20 0.43
CNR1 P21554 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
DPP7 Q9UHL4 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3235999 0.87 KDM4E (0.58) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL5633039 0.85 KDM4E (0.57) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL5175838 0.84 KDM4E (0.56) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL5175308 0.84 KDM4E (0.55) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL9957537 0.83 KDM4E (0.59) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL9958168 0.83 KDM4E (0.59) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL3578668 0.82 KDM4E (0.58) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL3574201 0.82 KDM4E (0.55) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL3571478 0.82 KDM4E (0.55) KDM4ETDP1MEN1KMT2AROCK1
SCHEMBL5177772 0.81 KDM4E (0.53) KDM4ETDP1MEN1KMT2AROCK1

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-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 WO 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP KDM4E 2662/4885TDP1 185/4885MEN1 2604/4885

“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.