SCHEMBL13164992

SCHEMBL13164992

CCOC(=O)c1sc2nc(C)nc(N(C)Cc3ccccc3)c2c1C

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ SLC26A6 Q9BXS9 1/20 0.53
▸ KMT2A Q03164 5/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL18406168 0.75 KDM4E (0.98) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4531480 0.73 ALDH1A1 (0.61) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4527847 0.72 KMT2A (0.80) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL4521552 0.71 MEN1 (0.64) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4564998 0.70 KMT2A (0.71) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL13165004 0.70 MAPT (0.58) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL17084517 0.68 KDM4E (0.84) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL31156484 0.68 ALDH1A1 (0.53) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4525636 0.68 KMT2A (0.66) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL13164902 0.68 RXFP1 (0.62) KDM4EALDH1A1KMT2AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 — — US disclosed
US-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES TRUSTEES OF BOSTON COLLEGE (US) 2010-09-09 — — 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-20100227853-A1 INHIBITORS OF CYCLIC AMP PHOSPHODIESTERASES PDE7A, PDE4A, PDE4C KDM4E 2476/4885ALDH1A1 2265/4885SLC26A6 4601/4885

“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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