SCHEMBL249731

SCHEMBL249731

O=Cc1c(-c2ccc(O)c3ccccc23)ccc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.71
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
PTPN22 Q9Y2R2 1/20 0.46
MAPT P10636 6/20 0.45
KMT2A Q03164 4/20 0.45
IDO1 P14902 1/20 0.45
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
ATM Q13315 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RRM1 P23921 1/20 0.44
THRB P10828 2/20 0.43
POLB P06746 2/20 0.43

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
SCHEMBL808500 0.87 ERN1 (0.64) ERN1KDM4ENPC1HTTMAPT
SCHEMBL29391032 0.87 ERN1 (0.64) ERN1KDM4ENPC1HTTMAPT
SCHEMBL9153615 0.87 ERN1 (0.67) ERN1KDM4ENPC1HTTPTPN22
SCHEMBL29358409 0.83 ERN1 (1.00) ERN1KDM4ENPC1HTTPTPN22
SCHEMBL304032 0.83 ERN1 (1.00) ERN1KDM4ENPC1HTTPTPN22
SCHEMBL5002573 0.83 ERN1 (0.62) ERN1KDM4ENPC1HTTMAPT
SCHEMBL11520332 0.82 ERN1 (0.96) ERN1KDM4ENPC1HTTPTPN22
SCHEMBL11407376 0.82 ERN1 (0.96) ERN1KDM4ENPC1HTTPTPN22
SCHEMBL10454858 0.81 ERN1 (0.64) ERN1KDM4ENPC1HTTPTPN22
Hydrazine SCHEMBL28732767 0.80 ERN1 (0.92) ERN1KDM4ENPC1HTTPTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP disclosed
EP-2338886-A2 Naphthalene derivatives Novartis AG (CH) 2011-06-29 EP disclosed
US-7045533-B2 Such as naphthalen-1-yl-(4-pentyloxy-naphthalen-1-yl)-mehtane for treatment/prevention of diseases/conditions associated with cannobinoid receptor activation such as chronic pain, osteo- and rheumatoid arthritis, teno-synovitis and gout NOVARTIS AG (CH) 2006-05-16 US disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
WO-2002042248-A2 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2002-05-30 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-20040053890-A1 Naphthalene derivatives CYP1A1, SULT1E1, CYP2F1 ERN1 1245/4885KDM4E 3981/4885NPC1 62/4885

“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.