SCHEMBL17103189

SCHEMBL17103189

Nc1ccccc1NC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HDAC1 Q13547 6/20 0.47
▸ HDAC3 O15379 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PDE7A Q13946 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ DHFR P00374 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HDAC2 Q92769 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
SCHEMBL17103171 0.85 MAPT (0.47) RORCMAPTALDH1A1HDAC1HDAC3
SCHEMBL17103220 0.84 KMT2A (0.54) RORCMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL17228260 0.84 MEN1 (0.51) RORCMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL13265843 0.84 RORC (0.59) RORCMAPTALDH1A1HDAC1HDAC3
SCHEMBL21301505 0.84 MAPT (0.49) RORCMAPTALDH1A1HDAC1KMT2A
SCHEMBL17103186 0.83 MEN1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2PDE7A
SCHEMBL29430118 0.81 MEN1 (0.53) RORCMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL17103173 0.81 MEN1 (0.53) RORCMAPTALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL17103200 0.81 MEN1 (0.52) RORCMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL17228264 0.79 MEN1 (0.50) MAPTALDH1A1KMT2ASMN1; SMN2NPC1

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 RORC 1024/4885MAPT 3953/4885ALDH1A1 786/4885

“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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