SCHEMBL17228261

SCHEMBL17228261

Cc1cccc(NC(=O)c2c(N)cccc2Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.54
▸ KMT2A Q03164 8/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MAOB P27338 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SETD7 Q8WTS6 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL17228262 0.89 MAPT (0.49) KMT2AMEN1CYP2C9CYP2C19NPSR1
SCHEMBL17103579 0.89 RAB9A (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17122774 0.85 MEN1 (0.51) KMT2AMEN1CYP2C9CYP2C19NPSR1
SCHEMBL17228270 0.82 ALDH1A1 (0.48) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL21301505 0.82 MAPT (0.49) KMT2AMEN1MAOBALDH1A1SMN1; SMN2
SCHEMBL17103171 0.79 MAPT (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL17103173 0.78 MEN1 (0.53) KMT2AMEN1MAOBALDH1A1SMN1; SMN2
SCHEMBL29430118 0.78 MEN1 (0.53) KMT2AMEN1MAOBALDH1A1SMN1; SMN2
SCHEMBL17228264 0.78 MEN1 (0.50) KMT2AMEN1CYP2C9CYP2C19NPSR1
SCHEMBL17103196 0.77 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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 ALOX5 2765/4885KMT2A 3442/4885MEN1 3628/4885

“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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