SCHEMBL7063442

SCHEMBL7063442

N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.50
▸ POLB P06746 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ TACR1 P25103 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL7737719 0.86 RAB9A (0.55) RAB9AMEN1KMT2AITGA4ITGB7
SCHEMBL22764974 0.86 TACR1 (0.53) TACR1ALDH1A1HTR2A
SCHEMBL7099710 0.86 TACR1 (0.53) TACR1ALDH1A1HTR2A
SCHEMBL7099704 0.86 TACR1 (0.53) TACR1ALDH1A1HTR2A
SCHEMBL6559288 0.82 MMP2 (0.56) RAB9AMAOBHTR2AITGA4ITGB7
SCHEMBL6559285 0.82 MMP2 (0.56) RAB9AMAOBHTR2AITGA4ITGB7
SCHEMBL6921335 0.81 GAA (0.57) RAB9AMAPTALDH1A1MAOBKMT2A
SCHEMBL5666945 0.81 MAPT (0.59) RAB9APOLBMAPTKDM4EGLA
SCHEMBL10500167 0.78 IDO1 (0.54) RAB9AALDH1A1MAOBHTR2AHTT
SCHEMBL27769197 0.77 IDO1 (0.50) RAB9AMAPTALDH1A1MAOAMAOB

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
US-6642355-B2 Peptide for use in the treatment of hypertension, asthma, cerebral disorders, angina pectoris, kidney and heart disorders KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-11-04 — — US disclosed
US-20030055213-A1 Endothelin-antagonizing peptide TANAKA TAKEO (JP) 2003-03-20 — — US disclosed
US-6194195-B1 PURE CULTURE; FOR PRODUCTION OF HYPOTENSIVE AGENTS AND THERAPIES FOR ASTHMA, CEREBRAL APOPLEXY, ANGINA PECTORIS, ACUTE RENAL FAILURE, CARDIAC INFARCTION, AND CEREBRAL VASOSPASM KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-02-27 — — US disclosed
EP-0698613-B1 Endothelin-antagonizing peptide KYOWA HAKKO KOGYO KK (JP) 1999-03-24 — — EP disclosed
US-5639860-A Endothelin-antagonizing peptide KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-06-17 — — US disclosed
EP-0698613-A1 Endothelin-antagonizing peptide KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-02-28 — — 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-20030055213-A1 Endothelin-antagonizing peptide NPY1R, ECE1, EDNRB RAB9A 2546/4885POLB 2897/4885MAPT 2667/4885

“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.

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