SCHEMBL17228264

SCHEMBL17228264

Cc1ccc(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 11/20 0.50
▸ KMT2A Q03164 11/20 0.50
▸ MAPT P10636 8/20 0.50
▸ HPGD P15428 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 5/20 0.47
▸ ALDH1A1 P00352 7/20 0.47
▸ POLB P06746 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MITF O75030 1/20 0.45
▸ TBXA2R P21731 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 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
SCHEMBL17228260 0.90 MEN1 (0.51) MEN1KMT2AMAPTHPGDMAPK1
SCHEMBL17103186 0.89 MEN1 (0.50) MEN1KMT2AMAPTHPGDMAPK1
SCHEMBL17228262 0.88 MAPT (0.49) MEN1KMT2AMAPTHPGDMAPK1
SCHEMBL17228263 0.84 MAPT (0.49) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL17228265 0.82 POLB (0.49) MEN1KMT2AMAPTHPGDHTT
SCHEMBL17103532 0.82 MAPT (0.57) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL17103189 0.79 RORC (0.49) KMT2AMAPTSMN1; SMN2NPC1LMNA
SCHEMBL17103220 0.79 KMT2A (0.54) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL17122774 0.79 MEN1 (0.51) MEN1KMT2AMAPTHPGDMAPK1
SCHEMBL17228261 0.78 ALOX5 (0.54) MEN1KMT2AMAPTHPGDMAPK1

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 3442/4885MAPT 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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