SCHEMBL17103186

SCHEMBL17103186

Nc1ccc(NC(=O)c2c(Sc3ccc([N+](=O)[O-])cc3)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ MAPT P10636 5/20 0.50
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MITF O75030 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ PDE7A Q13946 5/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ DHFR P00374 1/20 0.42
▸ PDE7B Q9NP56 1/20 0.42
▸ CA1 P00915 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
SCHEMBL17122774 0.90 MEN1 (0.51) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL17228260 0.90 MEN1 (0.51) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL17228264 0.89 MEN1 (0.50) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL17103189 0.83 RORC (0.49) KMT2AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL13265835 0.83 MAPT (0.56) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL17228265 0.82 POLB (0.49) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL17103532 0.82 MAPT (0.57) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL17228263 0.82 MAPT (0.49) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL17228262 0.81 MAPT (0.49) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL17103579 0.79 RAB9A (0.45) MEN1KMT2AMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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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