SCHEMBL17228260

SCHEMBL17228260

O=C(Nc1ccccc1)c1c(Sc2ccc([N+](=O)[O-])cc2)cccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ POLB P06746 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HPGD P15428 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ FFAR1 O14842 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL17228265 0.93 POLB (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL17228264 0.90 MEN1 (0.50) MEN1KMT2APOLBNPC1MITF
SCHEMBL17103186 0.90 MEN1 (0.50) MEN1KMT2APOLBNPC1MITF
SCHEMBL17103532 0.89 MAPT (0.57) MEN1KMT2APOLBNPC1MITF
SCHEMBL17228263 0.87 MAPT (0.49) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL17103189 0.84 RORC (0.49) KMT2ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL17103220 0.82 KMT2A (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL17122774 0.79 MEN1 (0.51) MEN1KMT2APOLBNPC1MITF
SCHEMBL17103579 0.77 RAB9A (0.45) MEN1KMT2APOLBRAB9AHPGD
SCHEMBL17228262 0.77 MAPT (0.49) MEN1KMT2APOLBNPC1MITF

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 2 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-20150313853-A1 ANTI-HIV COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN UNIVERSITY (CN) 2015-11-05 — — US 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 3442/4885POLB 1329/4885

“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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