SCHEMBL17228262

SCHEMBL17228262

Cc1ccc(NC(=O)c2c(N)cccc2Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.49
▸ MEN1 O00255 9/20 0.49
▸ KMT2A Q03164 9/20 0.49
▸ HPGD P15428 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ LMNA P02545 4/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ POLB P06746 3/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MITF O75030 1/20 0.44
▸ PTGES O14684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ DHFR P00374 1/20 0.42
▸ HTR1E P28566 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
SCHEMBL17122774 0.91 MEN1 (0.51) MAPTMEN1KMT2AHPGDHTT
SCHEMBL17228261 0.89 ALOX5 (0.54) MAPTMEN1KMT2AHPGDHTT
SCHEMBL17228264 0.88 MEN1 (0.50) MAPTMEN1KMT2AHPGDHTT
SCHEMBL17103579 0.85 RAB9A (0.45) MAPTMEN1KMT2AHPGDHTT
SCHEMBL21301505 0.84 MAPT (0.49) MAPTMEN1KMT2AHPGDHTT
SCHEMBL17228270 0.82 ALDH1A1 (0.48) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL17103186 0.81 MEN1 (0.50) MAPTMEN1KMT2AHPGDHTT
SCHEMBL17103171 0.80 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17103173 0.79 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL29430118 0.79 MEN1 (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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

“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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