SCHEMBL214247

SCHEMBL214247

CN(C)/C=N/c1ccc2nc(C(S)c3ccc(C(=O)O)cc3)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.37
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 4/20 0.37
TP53 P04637 3/20 0.37
CYP2C9 P11712 2/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
NFKB1 P19838 4/20 0.36
NFKB2 Q00653 4/20 0.36
RELA Q04206 4/20 0.36
KDM4E B2RXH2 4/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 7/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
GAA P10253 2/20 0.35
CYP2D6 P10635 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KMT2A Q03164 5/20 0.34

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
SCHEMBL214248 0.75 MAPT (0.53) RAB9ATP53KDM4ELMNANPC1
SCHEMBL211620 0.74 LDHA (0.46) RAB9ASMN1; SMN2LMNANPC1MAPT
SCHEMBL12895276 0.66 SMN1; SMN2 (0.57) RAB9ATP53SMN1; SMN2NFKB1NFKB2
SCHEMBL210097 0.65 CYP1A2 (0.53) RAB9ACYP1A2CYP2C19TP53CYP2C9
SCHEMBL210098 0.65 CYP1A2 (0.53) RAB9ACYP1A2CYP2C19TP53CYP2C9
SCHEMBL25114020 0.63 KDM4E (0.57) RAB9ATP53SMN1; SMN2NFKB1NFKB2
SCHEMBL20764171 0.62 MAPT (0.67) RAB9ATP53SMN1; SMN2NFKB1NFKB2
SCHEMBL14407248 0.62 SMN1; SMN2 (0.59) RAB9ACYP1A2CYP2C19TP53SMN1; SMN2
SCHEMBL24988088 0.61 HTT (0.62) RAB9ATP53SMN1; SMN2NFKB1NFKB2
SCHEMBL4972702 0.60 SCD (0.60) RAB9ACYP1A2CYP2C19CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088805-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2012-01-03 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-20050245518-A1 Antiproliferative agents METHYLGENE, INC. 2005-11-03 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 (2 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3036/4885CYP1A2 4230/4885CYP2C19 4716/4885
US-20050245518-A1 Antiproliferative agents HDAC1, HDAC11, HDAC5 RAB9A 3239/4885CYP1A2 4311/4885CYP2C19 4810/4885

“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.