SCHEMBL19375763

SCHEMBL19375763

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

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ LTA4H P09960 2/20 0.45
▸ MAPT P10636 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MYOC Q99972 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ HTT P42858 1/20 0.41
▸ PPIA P62937 1/20 0.40

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
SCHEMBL12477112 0.92 HTR2A (0.57) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL20164115 0.89 HTR2A (0.56) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL20164114 0.89 HTR2A (0.56) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL17300183 0.89 HTR2A (0.62) HTR2AALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL15676012 0.89 HTR2A (0.56) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL18975354 0.86 HTR2A (0.67) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL19432446 0.86 HTR2A (0.67) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL19209358 0.86 HTR2A (0.55) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL15810831 0.85 LTA4H (0.57) HTR2AALDH1A1MAPK1L3MBTL1LTA4H
SCHEMBL16949548 0.85 HTR2A (0.52) HTR2AALDH1A1MAPK1L3MBTL1LTA4H

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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF YAFEI SHANGHAI BIOLOG MEDICINE SCIENCE & TECHNOLOGY CO. LTD. (CN) 2017-09-21 — — 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-20170266308-A1 SMALL MOLECULE CONJUGATES SPECIFICALLY ACTIVATED IN TUMOR MICROENVIROMENT FOR TARGETING AND USE THEREOF CD4, MET, TNFSF10 HTR2A 4302/4885ALDH1A1 3614/4885MAPK1 2208/4885

“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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