SCHEMBL19741606

SCHEMBL19741606

CN1[C@H](C(=O)O)[C@@H](c2ccccc2)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.48
▸ MEN1 O00255 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MAPK1 P28482 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ THRB P10828 1/20 0.40
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ GRM1 Q13255 2/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GRM4 Q14833 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ EPHX2 P34913 1/20 0.33

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
SCHEMBL6739705 0.76 ATM (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL6736592 0.76 ATM (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL17030280 0.73 POLB (0.43) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL29323635 0.65 EPHX1 (0.42) KMT2AMEN1MAPTMAPK1ALDH1A1
SCHEMBL15704729 0.63 GAA (0.38) KMT2AMEN1MAPTMAPK1ALDH1A1
Nitric Acid SCHEMBL11625480 0.61 ALDH1A1 (0.44) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL23342642 0.60 RIPK1 (0.38) KMT2AMEN1POLB
SCHEMBL23298057 0.60 RIPK1 (0.38) KMT2AMEN1POLB
SCHEMBL23298060 0.60 RIPK1 (0.38) KMT2AMEN1POLB
SCHEMBL23298019 0.60 RIPK1 (0.38) KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-12-28 — — US claimed
US-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2017-12-28 — — 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-20170368015-A1 NOVEL COMPOUND AND ANTIVIRAL AGENT CONTAINING SAME AS ACTIVE INGREDIENT SARS1, ZC3HAV1, ZC3HAV1L KMT2A 3615/4885MEN1 4555/4885MAPT 4702/4885

“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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