SCHEMBL5177616

SCHEMBL5177616

Fc1cc(C2CC2)ccc1CNCCc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ROCK1 Q13464 1/20 0.43
PARP1 P09874 2/20 0.41
HTR2C P28335 2/20 0.40
CNR1 P21554 1/20 0.39
SCN8A Q9UQD0 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
DRD2 P14416 1/20 0.38
NR3C1 P04150 1/20 0.38
MAOB P27338 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
S1PR1 P21453 1/20 0.38
PRKX P51817 1/20 0.38
IKBKE Q14164 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL5176919 0.89 LMNA (0.46) KDM4EMEN1KMT2ATAAR1TDP1
SCHEMBL3569059 0.84 KDM4E (0.52) KDM4EMEN1KMT2ATAAR1TDP1
SCHEMBL3573470 0.80 PARP1 (0.55) KDM4EMEN1KMT2ATAAR1TDP1
SCHEMBL5176778 0.80 KDM4E (0.49) KDM4EMEN1KMT2ATAAR1TDP1
SCHEMBL3577225 0.80 PARP1 (0.53) KDM4EMEN1KMT2ATAAR1TDP1
SCHEMBL5178721 0.79 LMNA (0.59) KDM4EMEN1KMT2ATDP1SMYD3
SCHEMBL5175727 0.79 KDM4E (0.54) KDM4EMEN1KMT2ATAAR1TDP1
Hydrochloric Acid SCHEMBL11847984 0.72 MEN1 (0.62) KDM4EMEN1KMT2ATAAR1TDP1
SCHEMBL5187648 0.71 MPO (0.35) MEN1KMT2ATAAR1HTR2CMAOB
SCHEMBL5175432 0.71 KDM4E (0.49) KDM4EMEN1KMT2ATAAR1TDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-1993323-B Indole, indazole or indoline derivatives HOFFMANN LA ROCHE 2011-04-20 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
CN-1993323-A Indole, indazole or indoline derivatives HOFFMANN LA ROCHE (CH) 2007-07-04 CN 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 2662/4885MEN1 2604/4885KMT2A 3176/4885

“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.