SCHEMBL5431348

SCHEMBL5431348

CCCCc1cccc(C=CC(=O)NC(=N)N)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 7/20 0.60
▸ MEF2D Q14814 7/20 0.60
▸ ALDH1A1 P00352 2/20 0.43
▸ EGFR P00533 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ SLC6A19 Q695T7 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MMP1 P03956 2/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ SPHK2 Q9NRA0 1/20 0.42
▸ SPHK1 Q9NYA1 1/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL5431345 1.00 HDAC4 (0.60) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL15121425 0.84 CYSLTR2 (0.52) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL15121424 0.84 CYSLTR2 (0.52) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL28089990 0.84 HDAC4 (0.58) HDAC4MEF2DALDH1A1KDM4EHPGD
SCHEMBL28089992 0.84 HDAC4 (0.58) HDAC4MEF2DALDH1A1KDM4EHPGD
SCHEMBL19327151 0.81 HDAC3 (0.45) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL5440150 0.81 HDAC3 (0.45) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL5440153 0.81 HDAC3 (0.45) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL30071647 0.81 HDAC3 (0.45) HDAC4MEF2DALDH1A1EGFRHDAC3
SCHEMBL5672082 0.81 HDAC4 (0.47) HDAC4MEF2DMMP1MMP2MMP9

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-20070099968-A1 Antiviral compounds and methods BIOTRON LIMITED (AU) 2007-05-03 — — 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-20070099968-A1 Antiviral compounds and methods MAVS, ZC3HAV1, EIF2AK2 HDAC4 366/4885MEF2D 4268/4885ALDH1A1 3221/4885

“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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