SCHEMBL17228266

SCHEMBL17228266

CCc1ccc(NC(=O)c2c(N)cccc2Sc2ccc([N+](=O)[O-])cc2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.51
▸ MAPT P10636 4/20 0.51
▸ PKM P14618 3/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ LMNA P02545 1/20 0.44
▸ KCNMA1 Q12791 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17103196 0.89 ALDH1A1 (0.49) ALDH1A1MAPTPKMTDP1LMNA
SCHEMBL17228270 0.88 ALDH1A1 (0.48) ALDH1A1MAPTPKMTDP1KCNMA1
SCHEMBL17122561 0.88 KMT2A (0.55) ALDH1A1MAPTPKMTDP1KCNMA1
SCHEMBL17103173 0.86 MEN1 (0.53) ALDH1A1MAPTPKMTDP1KCNMA1
SCHEMBL29430118 0.86 MEN1 (0.53) ALDH1A1MAPTPKMTDP1KCNMA1
Hydrochloric Acid SCHEMBL17103200 0.85 MEN1 (0.52) ALDH1A1MAPTPKMTDP1KCNMA1
Sulfuric Acid SCHEMBL17103341 0.83 KMT2A (0.52) ALDH1A1MAPTPKMTDP1KMT2A
Sulfuric Acid SCHEMBL17103345 0.83 KMT2A (0.52) ALDH1A1MAPTPKMTDP1KMT2A
SCHEMBL17103449 0.78 ALDH1A1 (0.43) ALDH1A1MAPTPKMTDP1KMT2A
SCHEMBL21301505 0.77 MAPT (0.49) ALDH1A1MAPTLMNAHTTKMT2A

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 ALDH1A1 786/4885MAPT 3953/4885PKM 2187/4885

“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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