SCHEMBL2184764

SCHEMBL2184764

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.54
▸ IDO1 P14902 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ MAPT P10636 1/20 0.45

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
SCHEMBL2184760 1.00 HTR2A (0.54) HTR2AIDO1RAB9APOLBSMN1; SMN2
SCHEMBL5724349 0.90 HTR2A (0.55) HTR2AIDO1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5724347 0.89 HTR2A (0.54) HTR2AIDO1RAB9APOLBSMN1; SMN2
SCHEMBL13396487 0.86 CA1 (0.50) HTR2ARAB9APOLBSMN1; SMN2HTT
SCHEMBL29171050 0.85 HTR2A (0.59) HTR2AIDO1RAB9APOLBSMN1; SMN2
SCHEMBL8247254 0.83 HTR2A (0.60) HTR2AIDO1RAB9APOLBSMN1; SMN2
SCHEMBL12214491 0.82 HTR2A (0.53) HTR2AIDO1RAB9APOLBSMN1; SMN2
SCHEMBL7275342 0.82 HTR2A (0.53) HTR2AIDO1RAB9APOLBSMN1; SMN2
SCHEMBL9782567 0.82 IDO1 (0.56) HTR2AIDO1RAB9AHTTALDH1A1
SCHEMBL9820376 0.82 IDO1 (0.56) HTR2AIDO1RAB9AHTTALDH1A1

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
WO-2024148237-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC INHIBITORS OF MYCOBACTERIA, INCLUDING M. TUBERCULOSIS TRANA DISCOVERY, INC. (US) 2024-07-11 — — WO disclosed
US-10316371-B2 Screening methods for identifying specific Staphylococcus aureus inhibitors TRANA DISCOVERY, INC. (US) 2019-06-11 — — US disclosed
US-20140163037-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2014-06-12 — — US disclosed
EP-2691542-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS Trana Discovery, Inc. (US) 2014-02-05 — — EP disclosed
US-8431341-B2 Compositions and methods for the identification of inhibitors of protein synthesis TRANA DISCOVERY, INC. (US) 2013-04-30 — — US disclosed
WO-2012135416-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2012-10-04 — — WO disclosed
US-8232378-B2 Compositions and methods for the identification of inhibitors of protein synthesis TRANA DISCOVERY, INC. (US) 2012-07-31 — — US disclosed
US-20110229920-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2011-09-22 — — US disclosed
EP-2342339-A2 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS Trana Discovery, Inc. (US) 2011-07-13 — — EP disclosed
WO-2010036795-A2 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS TRANA DISCOVERY, INC. (US) 2010-04-01 — — WO disclosed
US-20100069260-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF PROTEIN SYNTHESIS GUENTHER RICHARD H 2010-03-18 — — US disclosed
US-7598040-B2 Compositions and methods for the identification of inhibitors of protein synthesis TRANA DISCOVERY, INC. (US) 2009-10-06 — — US disclosed
US-20080199870-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF PROTEIN SYNTHESIS TRANA DISCOVERY, INC. 2008-08-21 — — US disclosed
WO-2008064304-A9 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF PROTEIN SYNTHESIS TRANA DISCOVERY INC (US) 2008-07-10 — — WO disclosed
WO-2008064304-A2 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF PROTEIN SYNTHESIS TRANA DISCOVERY, INC. (US) 2008-05-29 — — WO disclosed
US-4440682-A Stereospecific synthesis of isocephalosporins and 2-oxa isocephalosporins LABORATORIO FARMACEUTICO QUIMICO "LAFARQUIM, S.A." (ES) 1984-04-03 — — 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 (4 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-20140163037-A1 SCREENING METHODS FOR IDENTIFYING SPECIFIC STAPHYLOCOCCUS AUREUS INHIBITORS NSUN3, RNGTT, TRMT1 HTR2A 3280/4885IDO1 1786/4885RAB9A 2694/4885
US-20100069260-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF PROTEIN SYNTHESIS NSUN3, RNGTT, TARBP1 HTR2A 4468/4885IDO1 3864/4885RAB9A 3795/4885
US-10316371-B2 Screening methods for identifying specific Staphylococcus aureus inhibitors NSUN3, RNGTT, TRMT1 HTR2A 3280/4885IDO1 1786/4885RAB9A 2694/4885
US-20080199870-A1 COMPOSITIONS AND METHODS FOR THE IDENTIFICATION OF INHIBITORS OF PROTEIN SYNTHESIS NSUN3, RNGTT, TARBP1 HTR2A 4468/4885IDO1 3864/4885RAB9A 3795/4885

“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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