SCHEMBL17103171

SCHEMBL17103171

Nc1cccc(Sc2ccc([N+](=O)[O-])cc2)c1C(=O)Nc1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HDAC1 Q13547 3/20 0.44
▸ RORC P51449 1/20 0.44
▸ NPC1 O15118 1/20 0.42
▸ DHFR P00374 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL21301505 0.88 MAPT (0.49) MAPTALDH1A1HDAC1RORCNPC1
SCHEMBL17103173 0.85 MEN1 (0.53) MAPTALDH1A1RORCSMN1; SMN2MEN1
SCHEMBL29430118 0.85 MEN1 (0.53) MAPTALDH1A1RORCSMN1; SMN2MEN1
SCHEMBL17103189 0.85 RORC (0.49) MAPTALDH1A1HDAC1RORCNPC1
Hydrochloric Acid SCHEMBL17103200 0.85 MEN1 (0.52) MAPTALDH1A1RORCSMN1; SMN2MEN1
SCHEMBL17122746 0.85 MAPT (0.43) MAPTALDH1A1RORCNPC1DHFR
SCHEMBL17103449 0.82 ALDH1A1 (0.43) MAPTALDH1A1HDAC1RORCSMN1; SMN2
Sulfuric Acid SCHEMBL17103345 0.82 KMT2A (0.52) MAPTALDH1A1RORCMEN1KMT2A
Sulfuric Acid SCHEMBL17103341 0.82 KMT2A (0.52) MAPTALDH1A1RORCMEN1KMT2A
SCHEMBL17122774 0.82 MEN1 (0.51) MAPTALDH1A1HDAC1NPC1DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2924021-B1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF UNIV SICHUAN (CN) 2019-08-28 — — EP disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 — — US disclosed
US-9402819-B2 Anti-HIV compound and preparation method and use thereof SICHUAN UNIVERSITY (CN) 2016-08-02 — — US disclosed
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
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — US disclosed
US-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — US disclosed
EP-2924021-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan University (CN) 2015-09-30 — — EP disclosed
EP-2924021-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF Sichuan University (CN) 2015-09-30 — — EP disclosed
CN-103183625-B Anti-HIV compound and preparation method and application thereof UNIV SICHUAN 2015-07-08 — — CN 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 786/4885HDAC1 356/4885

“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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