SCHEMBL5116616

SCHEMBL5116616

O=C(O)c1cccc2nc(-c3ccccc3)sc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ALDH1A1 P00352 1/20 0.47
DHODH Q02127 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
APP P05067 1/20 0.46
PDE10A Q9Y233 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
HPGD P15428 1/20 0.43
STAT1 P42224 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 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
SCHEMBL30872903 0.86 NPC1 (0.54) KDM4ELMNAALDH1A1DHODHNPC1
SCHEMBL16568961 0.86 NPC1 (0.54) KDM4ELMNAALDH1A1DHODHNPC1
SCHEMBL29226750 0.84 ILK (0.59) SMN1; SMN2KDM4ELMNANFKB1NFKB2
SCHEMBL5755756 0.82 ALDH1A1 (0.43) SMN1; SMN2KDM4ELMNAALDH1A1NPC1
SCHEMBL17859467 0.78 ALDH1A1 (0.47) SMN1; SMN2KDM4EALDH1A1DHODHNPC1
SCHEMBL5118299 0.78 ALDH1A1 (0.47) SMN1; SMN2KDM4ELMNAALDH1A1DHODH
SCHEMBL687318 0.77 ALDH1A1 (0.46) LMNAALDH1A1DHODHNPC1RAB9A
SCHEMBL20969720 0.77 ALDH1A1 (0.46) SMN1; SMN2KDM4ELMNAALDH1A1DHODH
SCHEMBL8975728 0.77 ALDH1A1 (0.46) SMN1; SMN2KDM4ELMNAALDH1A1DHODH
SCHEMBL30537926 0.75 PARP1 (0.47) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118164924-A Amide compound and application thereof 沈阳中化农药化工研发有限公司 2024-06-11 CN disclosed
EP-2959918-B1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J PHARMA CO LTD (JP) 2019-05-22 EP disclosed
US-10172835-B2 Anticancer agent composition J-PHARMA CO., LTD. (JP) 2019-01-08 US disclosed
US-20160279103-A1 AN ANTICANCER AGENT COMPOSITION J-PHARMA CO., LTD. (JP) 2016-09-29 US disclosed
CN-105392498-A Anti-malignant tumor agent composition PHARMA CO LTD J 2016-03-09 CN disclosed
EP-2959918-A1 ANTI-MALIGNANT TUMOR AGENT COMPOSITION J-Pharma Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-1481965-B1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS ENDO HITOSHI (JP) 2015-07-29 EP disclosed
US-7345068-B2 Aromatic amino acid derivatives and medicinal compositions Endou, Hitoshi (JP) 2008-03-18 US disclosed
CN-1293042-C Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2007-01-03 CN disclosed
CN-1630632-A Aromatic amino acid derivative and pharmaceutical composition thereof HITOSHI ENDOU (JP) 2005-06-22 CN disclosed
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions HITOSHI ENDOU (JP) 2005-06-02 US disclosed
EP-1481965-A1 AROMATIC AMINO ACID DERIVATIVES AND MEDICINAL COMPOSITIONS Endo, Hitoshi (JP) 2004-12-01 EP 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 (3 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-20160279103-A1 AN ANTICANCER AGENT COMPOSITION TUBB1, TUBA1A, TUBA1C SMN1; SMN2 1404/4885KDM4E 4145/4885LMNA 2092/4885
US-20050119256-A1 Aromatic amino acid derivates and medicinal compositions SLC7A1, SLC1A5, SLC7A5 SMN1; SMN2 4118/4885KDM4E 1714/4885LMNA 3373/4885
US-10172835-B2 Anticancer agent composition TOP1, TUBB1, TUBA1A SMN1; SMN2 1763/4885KDM4E 4258/4885LMNA 2356/4885

“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.