SCHEMBL6359855

SCHEMBL6359855

NNC(=O)c1ccc(-c2cccc3ccccc23)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.51
DYRK1B Q9Y463 10/20 0.51
HPGDS O60760 2/20 0.47
PRP4K Q13523 1/20 0.46
HDAC1 Q13547 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
ESRRG P62508 3/20 0.43
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL4787012 0.88 HDAC1 (0.61) DYRK1ADYRK1BHPGDSHDAC1NPC1
SCHEMBL4677903 0.81 HPGD (0.61) HPGDSRAB9AKDM4EALDH1A1HPGD
SCHEMBL7235823 0.80 HPGD (0.44) DYRK1ADYRK1BHPGDSHDAC1RAB9A
SCHEMBL7236771 0.78 KDM4E (0.51) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL6361898 0.78 HPGDS (0.43) DYRK1ADYRK1BHPGDSPRP4KHDAC1
SCHEMBL6353641 0.76 CDC25B (0.50) HDAC1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13707355 0.73 CA12 (0.47) KDM4EALDH1A1HPGD
SCHEMBL7431663 0.71 HTR6 (0.50) DYRK1ADYRK1BPRP4KKDM4EALDH1A1
SCHEMBL6356698 0.71 PTGER1 (0.58) DYRK1ADYRK1BKDM4EALDH1A1HPGD
SCHEMBL276955 0.71 ALDH1A1 (0.58) HDAC1KDM4EALDH1A1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS DYRK1A 4745/4885DYRK1B 4688/4885HPGDS 301/4885

“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.