SCHEMBL249599

SCHEMBL249599

CC(=O)Nc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.56
GPR35 Q9HC97 2/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
CXCR2 P25025 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
HTT P42858 1/20 0.44
ERN1 O75460 1/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 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
SCHEMBL9185883 0.90 KMT2A (0.56) KCNMA1GPR35MEN1KMT2APOLB
SCHEMBL7253753 0.85 KCNMA1 (0.57) KCNMA1GPR35MEN1KMT2APOLB
SCHEMBL7253758 0.85 KCNMA1 (0.57) KCNMA1GPR35MEN1KMT2APOLB
SCHEMBL30388557 0.83 KCNMA1 (0.63) KCNMA1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5144247 0.83 KCNMA1 (0.63) KCNMA1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL5335266 0.83 KCNMA1 (0.52) KCNMA1GPR35MEN1KMT2APOLB
SCHEMBL9872830 0.82 MEN1 (0.50) KCNMA1GPR35MEN1KMT2APOLB
SCHEMBL30625900 0.82 KMT2A (0.50) KCNMA1GPR35MEN1KMT2APOLB
SCHEMBL505372 0.82 KCNMA1 (0.51) KCNMA1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL3412286 0.82 MEN1 (0.50) KCNMA1GPR35MEN1KMT2APOLB

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 21 patents — showing the first 20. 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-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF WYETH 2010-02-11 US 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
CN-1224598-C Naphthalene derivatives NOVARTIS AG (CH) 2005-10-26 CN disclosed
US-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed
US-20040053890-A1 Naphthalene derivatives NOVARTIS AG (CH) 2004-03-18 US disclosed
CN-1476424-A Naphthalene derivatives ��˹��ŵ�� 2004-02-18 CN disclosed
EP-1339663-A2 NAPHTHALENE DERIVATIVES Novartis AG (CH) 2003-09-03 EP disclosed
US-5071468-A Cereal selectivity SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1991-12-10 US disclosed
EP-0375076-A1 Heterocyclic herbicides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-06-27 EP disclosed
US-4417896-A NITRO-,AMINO-,PHENOXYALKANOLS SOCIETE ANONYME DITE: L'OREAL (FR) 1983-11-29 US disclosed
EP-0011843-B1 DEVELOPING COMPONENTS FOR HAIR OXYDATION DYES, THEIR PREPARATION AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1982-09-15 EP disclosed
US-4337061-A NITRO DYES IN AQUEOUS SOLUTION SOCIETE ANONYME DITE: L'OREAL (FR) 1982-06-29 US disclosed
EP-0011844-B1 COUPLING COMPONENTS FOR OXIDIZING HAIR DYES, THEIR PREPARATION AND HAIR DYES CONTAINING THEM Henkel Kommanditgesellschaft auf Aktien (DE) 1982-05-26 EP disclosed
US-4231964-A Nitroamines, processes for their manufacture and their use as diazo components HOECHST AKTIENGESELLSCHAFT (DE) 1980-11-04 US disclosed
EP-0011844-A1 Coupling components for oxidizing hair dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed
EP-0011843-A2 Developing components for hair oxydation dyes, their preparation and hair dyes containing them Henkel Kommanditgesellschaft auf Aktien (DE) 1980-06-11 EP disclosed
US-4169091-A Symmetrical and asymmetrical disazo compounds containing a bis-(nitro-aryloxy)alkane middle component HOECHST AKTIENGESELLSCHAFT (DE) 1979-09-25 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 (3 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 KCNMA1 1761/4885GPR35 2663/4885MEN1 760/4885
US-20100035871-A1 BENZOXAZINE DERIVATIVES AND USES THEREOF HTR2C, HTR5A, NPY1R KCNMA1 1087/4885GPR35 145/4885MEN1 4176/4885
US-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD KCNMA1 1697/4885GPR35 2860/4885MEN1 1604/4885

“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.