SCHEMBL17103163

SCHEMBL17103163

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ HTT P42858 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 2/20 0.43
▸ ABCC9 O60706 1/20 0.43
▸ ABCC8 Q09428 1/20 0.43
▸ KCNJ11 Q14654 1/20 0.43
▸ KCNJ8 Q15842 1/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL17103219 0.82 KMT2A (0.52) MEN1KMT2AMAPTHPGDHTT
SCHEMBL5170350 0.80 MEN1 (0.48) MEN1KMT2AMAPTMAPK1MMP1
SCHEMBL1532248 0.79 KMT2A (0.59) MEN1KMT2AMAPTHPGDHTT
SCHEMBL13305747 0.76 MAPT (0.47) MEN1KMT2AMAPTHPGDHTT
SCHEMBL3576370 0.76 ALDH1A1 (0.46) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL1478058 0.74 ALDH1A1 (0.53) MEN1KMT2AMAPTHPGDHTT
SCHEMBL1454638 0.74 MAPT (0.52) MEN1KMT2AMAPTHPGDHTT
SCHEMBL16412251 0.73 KDM4E (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL7196335 0.73 MAPT (0.51) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL4740981 0.73 MEN1 (0.54) MEN1KMT2AMAPTSMN1; SMN2MAPK1

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 8 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

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 MEN1 3628/4885KMT2A 3442/4885MAPT 3953/4885

“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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