SCHEMBL17122771

SCHEMBL17122771

COc1ccccc1NC(=O)c1c(Sc2ccc([N+](=O)[O-])cc2)cccc1N(C)C

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ RORC P51449 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ PKM P14618 2/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MAOB P27338 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ KCNMA1 Q12791 2/20 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
SCHEMBL17122765 0.87 MEN1 (0.54) KMT2AMEN1RORCALDH1A1PKM
SCHEMBL17103220 0.87 KMT2A (0.54) KMT2AMEN1RORCALDH1A1PKM
SCHEMBL29430118 0.86 MEN1 (0.53) KMT2AMEN1RORCALDH1A1PKM
SCHEMBL17103173 0.86 MEN1 (0.53) KMT2AMEN1RORCALDH1A1PKM
Hydrochloric Acid SCHEMBL17103200 0.85 MEN1 (0.52) KMT2AMEN1RORCALDH1A1PKM
SCHEMBL17122742 0.85 MEN1 (0.51) KMT2AMEN1RORCALDH1A1PKM
SCHEMBL17103165 0.83 MEN1 (0.49) KMT2AMEN1RORCALDH1A1PKM
SCHEMBL17122743 0.83 MEN1 (0.49) KMT2AMEN1RORCALDH1A1PKM
Sulfuric Acid SCHEMBL17103341 0.83 KMT2A (0.52) KMT2AMEN1RORCALDH1A1PKM
Sulfuric Acid SCHEMBL17103345 0.83 KMT2A (0.52) KMT2AMEN1RORCALDH1A1PKM

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 6 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-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

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 KMT2A 3442/4885MEN1 3628/4885RORC 1024/4885

“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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