SCHEMBL17624645

SCHEMBL17624645

Cc1cc(-c2ccc(C(=O)N3CCCCC3)s2)nn1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ALDH1A1 P00352 9/20 0.47
▸ HPGD P15428 7/20 0.47
▸ YEATS4 O95619 1/20 0.47
▸ POLB P06746 4/20 0.47
▸ MAPK14 Q16539 1/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL19396257 0.87 L3MBTL3 (0.62) ALDH1A1HPGDL3MBTL3L3MBTL1
SCHEMBL19396275 0.86 ALDH1A1 (0.43) MAPTRXFP1ALDH1A1HPGDYEATS4
SCHEMBL12589838 0.86 MAPK14 (0.49) MAPTRXFP1ALDH1A1HPGDMAPK14
SCHEMBL12589841 0.85 ALDH1A1 (0.46) MAPTRXFP1ALDH1A1MAPK14NPC1
SCHEMBL19396274 0.85 ALDH1A1 (0.42) MAPTRXFP1ALDH1A1HPGDYEATS4
SCHEMBL1594311 0.85 ALDH1A1 (0.43) MAPTRXFP1ALDH1A1HPGDYEATS4
SCHEMBL12589846 0.85 L3MBTL1 (0.51) MAPTRXFP1ALDH1A1HPGDPOLB
SCHEMBL19396277 0.85 L3MBTL1 (0.51) MAPTRXFP1ALDH1A1HPGDPOLB
SCHEMBL19396276 0.85 L3MBTL1 (0.51) MAPTRXFP1ALDH1A1HPGDPOLB
SCHEMBL19396252 0.85 ALDH1A1 (0.41) ALDH1A1YEATS4MAPK14NPC1RAB9A

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-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC 2017-09-28 — — US disclosed
WO-2016044635-A1 MAO-B INHIBITORS AND REHABILITATION DART NEUROSCIENCE, LLC (US) 2016-03-24 — — WO 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 MAPT 807/4885RXFP1 1369/4885ALDH1A1 1300/4885

“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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