SCHEMBL16599526

SCHEMBL16599526

NCCC[C@H](Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NC(N)=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.54
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TGM2 P21980 1/20 0.38
▸ PDF Q9HBH1 1/20 0.38
▸ SSTR3 P32745 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ ATM Q13315 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36

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
SCHEMBL19209361 0.91 HTR2A (0.55) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL16599524 0.85 HTR2A (0.52) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL19209358 0.81 HTR2A (0.55) HTR2AALDH1A1MAPK1L3MBTL1PDF
SCHEMBL12477118 0.80 HTR2A (0.58) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL15676014 0.79 HTR2A (0.55) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL15810831 0.79 LTA4H (0.57) HTR2AALDH1A1MAPK1L3MBTL1PDF
SCHEMBL12476680 0.79 HTR2A (0.45) HTR2AALDH1A1MAPK1L3MBTL1PDF
SCHEMBL20184616 0.78 PDF (0.53) HTR2AALDH1A1MAPK1L3MBTL1TGM2
SCHEMBL18941468 0.77 PDF (0.48) HTR2AALDH1A1MAPK1L3MBTL1PDF
SCHEMBL18941467 0.77 PDF (0.48) HTR2AALDH1A1MAPK1L3MBTL1PDF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 — — US disclosed
US-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2018-12-20 — — US disclosed
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 — — EP disclosed
EP-3215513-A1 FUNCTIONALIZED MORPHOLINYL ANTHRACYCLINE DERIVATIVES Nerviano Medical Sciences S.r.l. (IT) 2017-09-13 — — EP disclosed
EP-3185908-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES Pfizer Inc (US) 2017-07-05 — — EP disclosed
EP-3049420-A1 THIENO[2,3-e]INDOLE DERIVATIVES AS NEW ANTITUMOR AGENTS Nerviano Medical Sciences S.r.l. (IT) 2016-08-03 — — EP disclosed
WO-2016071418-A1 FUNCTIONALIZED MORPHOLINYL ANTHRACYCLINE DERIVATIVES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-12 — — WO disclosed
WO-2016030791-A1 STABILITY-MODULATING LINKERS FOR USE WITH ANTIBODY DRUG CONJUGATES PFIZER INC. (US) 2016-03-03 — — WO disclosed
WO-2015044003-A1 THIENO[2,3-e]INDOLE DERIVATIVES AS NEW ANTITUMOR AGENTS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-02 — — WO 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-20180362519-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION NGLY1, TEK, TEKT1 HTR2A 3851/4885ALDH1A1 4715/4885MAPK1 3409/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 HTR2A 3851/4885ALDH1A1 4715/4885MAPK1 3409/4885

“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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