SCHEMBL4254302

SCHEMBL4254302

O=C(/C=C/c1ccccc1)NCCOc1cc(C(=S)NO)on1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MMP1 P03956 3/20 0.47
MMP2 P08253 3/20 0.47
MMP9 P14780 3/20 0.47
POLB P06746 1/20 0.47
RECQL P46063 1/20 0.47
NDUFS8 O00217 1/20 0.44
COXFA4 O00483 1/20 0.44
NDUFAB1 O14561 1/20 0.44
NDUFA1 O15239 1/20 0.44
NDUFS4 O43181 1/20 0.44
NDUFB5 O43674 1/20 0.44
NDUFB3 O43676 1/20 0.44
NDUFC1 O43677 1/20 0.44
NDUFA2 O43678 1/20 0.44
NDUFS5 O43920 1/20 0.44
NDUFS7 O75251 1/20 0.44

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
SCHEMBL4250910 0.97 KMT2A (0.52) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL445294 0.89 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL445691 0.86 KMT2A (0.54) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL4252914 0.76 HDAC1 (0.52) SMN1; SMN2RAB9AMAPTHDAC3HDAC4
SCHEMBL4253893 0.76 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL4253316 0.76 HPGD (0.45) SMN1; SMN2RAB9AALDH1A1POLBHDAC3
SCHEMBL4254244 0.76 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKMT2AALDH1A1MAPT
SCHEMBL4254137 0.74 SMPD1 (0.47) SMN1; SMN2RAB9AKMT2AALDH1A1POLB
SCHEMBL14918377 0.74 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1
SCHEMBL14918376 0.74 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2AALDH1A1MMP1

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 SMN1; SMN2 3469/4885RAB9A 3763/4885KMT2A 94/4885

“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.