SCHEMBL19396255

SCHEMBL19396255

Cc1cc(-c2ccc(C(=O)N3CC(C)CC(C)C3)s2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ HPGD P15428 2/20 0.44
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PLA2G1B P04054 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL19396277 0.86 L3MBTL1 (0.51) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL12589846 0.86 L3MBTL1 (0.51) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL19396276 0.86 L3MBTL1 (0.51) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL12589838 0.86 MAPK14 (0.49) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL1593397 0.84 ALDH1A1 (0.60) ALDH1A1HPGDGAATSHRMEN1
SCHEMBL17624645 0.81 MAPT (0.47) ALDH1A1HPGDTSHRKMT2ARAB9A
SCHEMBL19396252 0.80 ALDH1A1 (0.41) ALDH1A1GAATSHRKMT2ARAB9A
SCHEMBL12589567 0.79 ALDH1A1 (0.48) ALDH1A1HPGDGAAMEN1KMT2A
SCHEMBL12589839 0.79 ALDH1A1 (0.44) ALDH1A1HPGDGAATSHRPLA2G1B
SCHEMBL19396275 0.79 ALDH1A1 (0.43) ALDH1A1HPGDRAB9AKDM4ENPC1

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 1300/4885HPGD 932/4885GAA 157/4885

“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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