SCHEMBL6044291

SCHEMBL6044291

CCOCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 11/20 0.77
MAPT P10636 6/20 0.64
ALDH1A1 P00352 3/20 0.64
RAB9A P51151 2/20 0.64
PTGER4 P35408 1/20 0.64
NPC1 O15118 1/20 0.61
PKM P14618 1/20 0.61
CRHBP P24387 1/20 0.61
CRHR2 Q13324 1/20 0.61
KMT2A Q03164 1/20 0.55
LMNA P02545 1/20 0.54

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
SCHEMBL20797593 0.89 MAPT (0.73) HCAR3MAPTALDH1A1RAB9APTGER4
SCHEMBL581227 0.88 HCAR3 (0.73) HCAR3MAPTALDH1A1RAB9APTGER4
SCHEMBL6043949 0.87 HCAR3 (1.00) HCAR3MAPTALDH1A1RAB9APTGER4
SCHEMBL2688335 0.85 HCAR3 (1.00) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL22126379 0.85 HCAR3 (0.70) HCAR3MAPTALDH1A1RAB9APTGER4
SCHEMBL27858164 0.84 HCAR3 (0.69) HCAR3MAPTALDH1A1RAB9APTGER4
SCHEMBL6044176 0.83 HCAR3 (1.00) HCAR3MAPTALDH1A1RAB9ANPC1
SCHEMBL24032 0.83 HCAR3 (1.00) HCAR3MAPTALDH1A1KMT2A
SCHEMBL28183325 0.82 HCAR3 (0.86) HCAR3MAPTALDH1A1RAB9APTGER4
SCHEMBL6044024 0.82 HCAR3 (1.00) HCAR3MAPTALDH1A1RAB9ANPC1

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 1 patent. 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

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 3284/4885ALDH1A1 607/4885

“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.