SCHEMBL17228263

SCHEMBL17228263

CC(=O)c1cccc(NC(=O)c2c(Sc3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ MAPK1 P28482 3/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ RAC1 P63000 1/20 0.47
▸ BLM P54132 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ PDE7A Q13946 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL17103532 0.92 MAPT (0.57) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL17228260 0.87 MEN1 (0.51) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL13265772 0.85 ALDH1A1 (0.62) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL17228264 0.84 MEN1 (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL17103186 0.82 MEN1 (0.50) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL17228265 0.80 POLB (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL17228261 0.77 ALOX5 (0.54) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL7628341 0.77 POLB (0.67) MAPTALDH1A1MEN1KMT2AMAPK1
SCHEMBL17103189 0.77 RORC (0.49) MAPTALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL17103579 0.77 RAB9A (0.45) MAPTALDH1A1MEN1KMT2AMAPK1

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-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 — — US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — 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-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF FURIN, CD4, SI MAPT 3953/4885ALDH1A1 786/4885MEN1 3628/4885

“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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