SCHEMBL22977618

SCHEMBL22977618

Nc1nnc(-c2cccs2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 8/20 0.47
HPGD P15428 7/20 0.47
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 2/20 0.47
GLA P06280 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
HSD17B10 Q99714 3/20 0.46
EPHX2 P34913 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 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
SCHEMBL8626463 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL417270 0.77 GAA (0.49) KDM4EALDH1A1HPGDMAPTNPC1
Water SCHEMBL5637133 0.76 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL29290126 0.76 KDM4E (0.57) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL5156942 0.68 CDK5 (0.56) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL5788579 0.68 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL538459 0.67 NPC1 (0.52) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL1849836 0.67 POLB (0.44) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL8629006 0.67 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTNPC1
SCHEMBL4328366 0.67 KDM4E (0.43) KDM4EALDH1A1HPGDMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459936-B2 Benzamide antibacterial agents PURDUE RESEARCH FOUNDATION (US) 2025-11-04 US disclosed
US-20230391767-A1 BENZAMIDE ANTIBACTERIAL AGENTS PURDUE RESEARCH FOUNDATION 2023-12-07 US disclosed
US-11731964-B2 Benzamide antibacterial agents PURDUE RESEARCH FOUNDATION (US) 2023-08-22 US disclosed
US-20210047316-A1 BENZAMIDE ANTIBACTERIAL AGENTS PURDUE RESEARCH FOUNDATION 2021-02-18 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 (4 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-20230391767-A1 BENZAMIDE ANTIBACTERIAL AGENTS HDAC6, HDAC5, HDAC3 KDM4E 1365/4885ALDH1A1 1315/4885HPGD 2140/4885
US-20210047316-A1 BENZAMIDE ANTIBACTERIAL AGENTS HDAC6, HDAC5, HDAC3 KDM4E 1365/4885ALDH1A1 1315/4885HPGD 2140/4885
US-12459936-B2 Benzamide antibacterial agents HDAC6, HDAC5, HDAC3 KDM4E 1365/4885ALDH1A1 1315/4885HPGD 2140/4885
US-11731964-B2 Benzamide antibacterial agents HDAC6, HDAC5, HDAC3 KDM4E 1365/4885ALDH1A1 1315/4885HPGD 2140/4885

“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.