SCHEMBL4479518

SCHEMBL4479518

COc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
MAPT P10636 4/20 0.64
RAB9A P51151 1/20 0.64
HPGD P15428 2/20 0.63
NPC1 O15118 1/20 0.56
HTT P42858 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
CPS1 P31327 4/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
PDE4A P27815 1/20 0.50

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
SCHEMBL4456955 0.88 NPC1 (0.59) POLBMAPTRAB9AHPGDNPC1
SCHEMBL3469063 0.85 KMT2A (0.63) POLBMAPTRAB9AHPGDNPC1
SCHEMBL27467361 0.84 ALDH1A1 (0.69) POLBMAPTRAB9AHPGDNPC1
SCHEMBL3809736 0.84 MAPT (0.82) POLBMAPTRAB9AHPGDNPC1
SCHEMBL1483827 0.83 HPGD (0.72) POLBMAPTRAB9AHPGDNPC1
SCHEMBL29446142 0.83 HPGD (0.72) POLBMAPTRAB9AHPGDNPC1
SCHEMBL28061936 0.83 MAPT (0.70) POLBMAPTRAB9AHPGDNPC1
SCHEMBL6311417 0.83 KDM4E (0.58) MAPTRAB9AHPGDNPC1HTT
SCHEMBL3814590 0.83 NPC1 (0.82) POLBMAPTRAB9AHPGDNPC1
SCHEMBL4743101 0.83 HPGD (0.64) POLBMAPTRAB9AHPGDNPC1

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
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
WO-2008107321-A1 HETEROCYCLIC COMPOUNDS USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
WO-2008107320-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES USED AS ANTI-NEOPLASIC AGENTS OR CELL PROLIFERATION INHIBITORS CEREP (FR) 2008-09-12 WO disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 POLB 4170/4885MAPT 4230/4885RAB9A 2171/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 POLB 4219/4885MAPT 4527/4885RAB9A 2321/4885

“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.