SCHEMBL6355407

SCHEMBL6355407

NNC(=O)c1ccc(C(Cc2ccccc2)c2ccccc2)s1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 4/20 0.46
HDAC3 O15379 3/20 0.43
HDAC4 P56524 3/20 0.43
HDAC1 Q13547 3/20 0.43
EPHX1 P07099 1/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HPGDS O60760 2/20 0.43
ACP3 P15309 1/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
MME P08473 1/20 0.39
CTSD P07339 1/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
SLC7A5 Q01650 1/20 0.39

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
SCHEMBL4682575 0.85 DAO (0.50) EPHX1ACP3SLC1A3SLC1A2SLC1A1
SCHEMBL6355813 0.77 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC6
SCHEMBL6359842 0.72 HDAC1 (0.47) HDAC3HDAC4HDAC1HDAC6
SCHEMBL6356334 0.71 ALOX5 (0.46) HDAC3HDAC4HDAC1HDAC6
SCHEMBL6358637 0.70 ATM (0.53)
SCHEMBL276955 0.70 ALDH1A1 (0.58) HDAC3HDAC4HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL6354048 0.69 HDAC6 (0.45) HDAC3HDAC4HDAC1HDAC6
SCHEMBL6362483 0.68 ACKR3 (0.41) HDAC3HDAC4HDAC1HDAC6
SCHEMBL2638143 0.67 ALDH1A1 (0.51) HDAC3HDAC4HDAC1HDAC6MME
SCHEMBL14121141 0.67 MME (0.57) C3AR1HDAC3HDAC4HDAC1HDAC6

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 C3AR1 1305/4885HDAC3 156/4885HDAC4 180/4885

“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.