SCHEMBL6044176

SCHEMBL6044176

CCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 1.00
MAPT P10636 5/20 0.69
GAA P10253 1/20 0.69
NPC1 O15118 2/20 0.62
PKM P14618 2/20 0.62
ALDH1A1 P00352 1/20 0.62
CRHBP P24387 1/20 0.62
RAB9A P51151 1/20 0.62
CRHR2 Q13324 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.61
POLB P06746 1/20 0.61
PRSS1 P07477 3/20 0.60
KMT2A Q03164 1/20 0.58

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
SCHEMBL6044024 0.96 HCAR3 (1.00) HCAR3MAPTGAANPC1PKM
SCHEMBL11242963 0.95 HCAR3 (0.97) HCAR3MAPTGAANPC1PKM
SCHEMBL6044600 0.95 HCAR3 (0.97) HCAR3MAPTGAANPC1PKM
SCHEMBL11208444 0.95 HCAR3 (0.97) HCAR3MAPTGAANPC1PKM
SCHEMBL2688335 0.92 HCAR3 (1.00) HCAR3MAPTNPC1PKMALDH1A1
SCHEMBL11267808 0.89 HCAR3 (0.81) HCAR3MAPTGAANPC1PKM
SCHEMBL3278681 0.88 HCAR3 (0.78) HCAR3MAPTALDH1A1PRSS1
SCHEMBL11238552 0.87 HCAR3 (0.77) HCAR3MAPTGAANPC1PKM
SCHEMBL24032 0.86 HCAR3 (1.00) HCAR3MAPTALDH1A1KMT2A
SCHEMBL28183325 0.86 HCAR3 (0.86) HCAR3MAPTGAANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458102-B2 Derivatives of tetracaine OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-10-04 US disclosed
US-20140018422-A1 DERIVATIVES OF TETRACAINE WILLAMETTE UNIVERSITY (US) 2014-01-16 US disclosed
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 WO disclosed
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed
EP-0034836-B1 PROCESS FOR PREPARING NITROAZO BENZENES CIBA-GEIGY AG (CH) 1983-07-13 EP disclosed
US-4347180-A High caustic coupling process for preparing substituted 2-nitro-2'-hydroxyazobenzenes CIBA-GEIGY CORPORATION (US) 1982-08-31 US disclosed
US-4275004-A High caustic coupling process for preparing substituted 2-nitro-2'-hydroxyazobenzenes CIBA-GEIGY CORPORATION (US) 1981-06-23 US disclosed
US-4230867-A REDUCTION, CYCLIZATION OF NITROAZOBENZENES CIBA-GEIGY CORPORATION (US) 1980-10-28 US disclosed
US-4219480-A REDUCTION OF UNDESIRED BY-PRODUCT AND EFFLUENT POLLUTION PROBLEMS CIBA-GEIGY CORPORATION (US) 1980-08-26 US disclosed
EP-0006564-A2 2-(3.5-disubstituted-2-hydroxyphenyl)-2H-benzotriazoles and stabilized compositions containing them CIBA-GEIGY AG (CH) 1980-01-09 EP disclosed
US-4141903-A REDUCTION AND CYCLIZATION OF THE CORRESPONDING O-NITROAZOBENZENES WITH CARBON MONOXIDE USING A COPPER-AMINE COMPLEX AS CATALYST CIBA-GEIGY CORPORATION (US) 1979-02-27 US disclosed
US-4041044-A BY REDUCTION OF CORRESPONDING O-NITRO-AZOBENZENES WITH ZINC IN AQUEOUS ALKALI METAL HYDROXIDE CIBA-GEIGY CORPORATION (US) 1977-08-09 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-20140018422-A1 DERIVATIVES OF TETRACAINE CACNA1G, CACNA1H, CACNA1I HCAR3 140/4885MAPT 1590/4885GAA 1848/4885
US-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR HCAR3 85/4885MAPT 3284/4885GAA 70/4885

“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.