SCHEMBL17103579

SCHEMBL17103579

Nc1cccc(NC(=O)c2c(N)cccc2Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PDE7A Q13946 2/20 0.44
▸ MAPT P10636 5/20 0.43
▸ POLB P06746 3/20 0.43
▸ KDR P35968 2/20 0.43
▸ BLM P54132 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ DDX3X O00571 2/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL17228261 0.89 ALOX5 (0.54) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL17122774 0.89 MEN1 (0.51) RAB9AMEN1KMT2AALDH1A1PDE7A
SCHEMBL13265842 0.86 ALDH1A1 (0.58) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL17228262 0.85 MAPT (0.49) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL17103196 0.81 ALDH1A1 (0.49) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL17103171 0.80 MAPT (0.47) MEN1KMT2AALDH1A1MAPTDHFR
SCHEMBL21301505 0.80 MAPT (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL17103186 0.79 MEN1 (0.50) RAB9AMEN1KMT2AALDH1A1PDE7A
SCHEMBL28819206 0.78 ALDH1A1 (0.52) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL17228260 0.77 MEN1 (0.51) RAB9AMEN1KMT2AALDH1A1MAPT

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
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

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 RAB9A 1499/4885MEN1 3628/4885KMT2A 3442/4885

“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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