SCHEMBL12425517

SCHEMBL12425517

CCCNc1nnc(-c2ccc(OC)c(C)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
HPGD P15428 7/20 0.52
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
HSD17B10 Q99714 4/20 0.52
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
RAB9A P51151 4/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 3/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 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
SCHEMBL13381390 0.92 HPGD (0.50) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12425674 0.86 MEN1 (0.52) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1966330 0.82 KDM4E (0.40) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1967869 0.82 HPGD (0.58) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1968392 0.79 MEN1 (0.50) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL1488845 0.75 HPGD (0.40) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30904986 0.75 KDM4E (0.59) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL30096226 0.74 KDM4E (0.46) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
Hydrochloric Acid SCHEMBL9699117 0.73 KDM4E (0.51) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12425519 0.72 CSNK2A2 (0.51) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10

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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES ALMIRALL, S.A. (ES) 2011-08-18 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-20110200557-A1 NEW 2-AMIDOTHIADIAZOLE DERIVATIVES S1PR2, S1PR3, S1PR1 KDM4E 4607/4885HPGD 1378/4885ALDH1A1 1610/4885

“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.