SCHEMBL6044024

SCHEMBL6044024

CCCCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 10/20 1.00
MAPT P10636 4/20 0.64
GAA P10253 1/20 0.64
PRSS1 P07477 4/20 0.61
NPC1 O15118 2/20 0.60
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.60
CRHBP P24387 1/20 0.60
RAB9A P51151 1/20 0.60
CRHR2 Q13324 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL11242963 0.99 HCAR3 (0.97) HCAR3MAPTGAAPRSS1NPC1
SCHEMBL6044600 0.99 HCAR3 (0.97) HCAR3MAPTGAAPRSS1NPC1
SCHEMBL11208444 0.99 HCAR3 (0.97) HCAR3MAPTGAAPRSS1NPC1
SCHEMBL6044176 0.96 HCAR3 (1.00) HCAR3MAPTGAAPRSS1NPC1
SCHEMBL2688335 0.91 HCAR3 (1.00) HCAR3MAPTNPC1ALDH1A1PKM
SCHEMBL9192588 0.87 HCAR3 (0.77) HCAR3MAPTPRSS1NPC1ALDH1A1
SCHEMBL10524428 0.87 HCAR3 (0.76) HCAR3MAPTGAAPRSS1NPC1
SCHEMBL3278681 0.86 HCAR3 (0.78) HCAR3MAPTPRSS1ALDH1A1
SCHEMBL11267808 0.85 HCAR3 (0.81) HCAR3MAPTGAAPRSS1NPC1
SCHEMBL20066439 0.85 HCAR3 (0.74) HCAR3MAPTPRSS1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP 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-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.