SCHEMBL1653019

SCHEMBL1653019

N[C@@H](Cc1c[nH]cn1)C(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ KDM4E B2RXH2 2/20 0.35
▸ GPR35 Q9HC97 1/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ GRM8 O00222 1/20 0.31
▸ GRM4 Q14833 1/20 0.31

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
SCHEMBL1653001 0.78 GPR35 (0.43) ALDH1A1KDM4EGPR35RAB9AHTT
SCHEMBL28129418 0.77 BCL9 (0.40) ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL1654192 0.77 ALDH1A1 (0.48) ALDH1A1GPR35L3MBTL1POLB
SCHEMBL1653790 0.76 KMT2A (0.53) ALDH1A1KDM4ERAB9AHTTNPC1
SCHEMBL1653798 0.76 GPR35 (0.45) ALDH1A1KDM4EGPR35RAB9AHTT
SCHEMBL1653846 0.74 GPR35 (0.39) ALDH1A1KDM4EGPR35RAB9AHTT
SCHEMBL7782152 0.74 SLC1A3 (0.37) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL7782151 0.74 SLC1A3 (0.37) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL11220084 0.73 MMP2 (0.41) ALDH1A1KDM4EGPR35RAB9AL3MBTL1
SCHEMBL3031094 0.73 MMP2 (0.41) ALDH1A1KDM4EGPR35RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 — — US claimed
US-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto INFLUMEDIX INC. (US) 2011-04-21 — — US disclosed
EP-0444068-A1 TRIALKYSILYL ESTERS OF AMINO ACIDS AND THEIR USE IN THE SYNTHESIS OF PEPTIDES PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1991-09-04 — — EP disclosed
WO-1990005738-A1 TRIALKYSILYL ESTERS OF AMINO ACIDS AND THEIR USE IN THE SYNTHESIS OF PEPTIDES PUBLIC HEALTH LABORATORY SERVICE BOARD (GB) 1990-05-31 — — 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 (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-20110092557-A1 Neuraminidase Inhibitors And Compositions And Methods Related Thereto NEU1, DAO, NEU3 ALDH1A1 2018/4885KDM4E 2909/4885GPR35 1726/4885

“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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