SCHEMBL4425438

SCHEMBL4425438

CCc1cccc(-c2nc(CCl)c(C)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
KDM1A O60341 2/20 0.46
KDR P35968 1/20 0.45
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 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
SCHEMBL1436140 0.84 MAPT (0.49) KDM1AMAPTALDH1A1MEN1KMT2A
SCHEMBL4850381 0.83 KDM4E (0.61) KDRMAPTALDH1A1MEN1KMT2A
SCHEMBL1436230 0.82 MAPT (0.56) KDM1AMAPTTP53TSHRMAPK1
SCHEMBL4359109 0.82 KDM4E (0.56) NOTUMMAPTALDH1A1MEN1KMT2A
SCHEMBL5103142 0.81 RXFP1 (0.52) KDM1AMAPTALDH1A1MEN1KMT2A
SCHEMBL12163868 0.81 KDM4E (0.50) KDM1AMAPTALDH1A1MEN1KMT2A
SCHEMBL503999 0.80 KDM4E (0.64) KDRALDH1A1MEN1KMT2ATP53
SCHEMBL2329392 0.79 ALDH1A1 (0.61) MAPTALDH1A1MEN1KMT2ATP53
SCHEMBL2081784 0.79 MAPT (0.65) NOTUMKDM1AMAPTALDH1A1MEN1
SCHEMBL2080844 0.78 KDR (0.65) KDRMAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756096-B1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS HOFFMANN LA ROCHE (CH) 2009-08-12 EP disclosed
US-7485652-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2009-02-03 US disclosed
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators DEHMLOW HENRIETTA 2007-05-03 US disclosed
CN-1950365-A Indolyl derivatives as liver-X-receptor modulators HOFFMANN LA ROCHE (CH) 2007-04-18 CN disclosed
EP-1756096-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2007-02-28 EP disclosed
US-7173048-B2 Indolyl derivatives as liver-X-receptor (LXR) modulators HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
WO-2005105791-A1 INDOLYL DERIVATIVES AS LIVER-X-RECEPTOR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 WO disclosed
US-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 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 (2 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-20050245515-A1 Indolyl derivatives as liver-X-receptor (LXR) modulators INSR, NR1H2, NR1H3 NOTUM 1794/4885KDM1A 2199/4885KDR 1894/4885
US-20070099916-A1 Indolyl derivatives as liver-x-receptor (LXR) modulators INSR, NR1H2, NR1H3 NOTUM 1794/4885KDM1A 2199/4885KDR 1894/4885

“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.