SCHEMBL19396253

SCHEMBL19396253

Cc1cc(-c2ccc(C(=O)N3CCc4ccccc4C3)s2)nn1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ ALDH1A1 P00352 8/20 0.53
▸ MAPT P10636 5/20 0.53
▸ HTT P42858 4/20 0.53
▸ HPGD P15428 5/20 0.52
▸ LMNA P02545 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ BCL2 P10415 1/20 0.48
▸ BAD Q92934 1/20 0.48
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PLA2G1B P04054 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
SCHEMBL2057844 0.85 ALDH1A1 (0.56) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL19396275 0.82 ALDH1A1 (0.43) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL17624645 0.80 MAPT (0.47) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL15905580 0.80 ALDH1A1 (0.41) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL19396273 0.79 ALDH1A1 (0.40) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL12589842 0.77 SCD5 (0.46) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL12589838 0.77 MAPK14 (0.49) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL12589840 0.77 CYP46A1 (0.47) NPC1RAB9AALDH1A1MAPTLMNA
SCHEMBL19396274 0.76 ALDH1A1 (0.42) NPC1RAB9AALDH1A1MAPTHPGD
SCHEMBL4926706 0.76 NPC1 (0.62) NPC1RAB9AALDH1A1MAPTHTT

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 NPC1 3863/4885RAB9A 960/4885ALDH1A1 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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