SCHEMBL19396252

SCHEMBL19396252

Cc1cc(-c2ccc(C(=O)N3CCCC(O)C3)s2)nn1C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GFER P55789 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ YEATS4 O95619 1/20 0.38
▸ GRM3 Q14832 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PDE2A O00408 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL19396276 0.89 L3MBTL1 (0.51) ALDH1A1KDM4EGFERLMNAGAA
SCHEMBL19396277 0.89 L3MBTL1 (0.51) ALDH1A1KDM4EGFERLMNAGAA
SCHEMBL12589846 0.89 L3MBTL1 (0.51) ALDH1A1KDM4EGFERLMNAGAA
SCHEMBL12589841 0.87 ALDH1A1 (0.46) ALDH1A1KDM4EGFERLMNAGAA
SCHEMBL1594796 0.85 ALDH1A1 (0.56) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL17624645 0.85 MAPT (0.47) ALDH1A1KDM4ELMNATSHRNPSR1
SCHEMBL12589838 0.82 MAPK14 (0.49) ALDH1A1KDM4ELMNAL3MBTL1MAPK14
SCHEMBL19396257 0.80 L3MBTL3 (0.62) ALDH1A1L3MBTL1
SCHEMBL12589839 0.80 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAGAATSHR
SCHEMBL19396255 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EGAATSHRNPSR1

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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 — — 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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885KDM4E 1355/4885GFER 1291/4885

“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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