SCHEMBL19396274

SCHEMBL19396274

Cc1cc(-c2ccc(C(=O)N3CCC(C)(O)CC3)s2)nn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 4/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ HPGD P15428 5/20 0.36
▸ NR2E1 Q9Y466 1/20 0.36
▸ ERN1 O75460 2/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ YEATS4 O95619 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ GRM3 Q14832 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34

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
SCHEMBL19396271 0.90 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL12589840 0.86 CYP46A1 (0.47) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL17624645 0.85 MAPT (0.47) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL19396254 0.85 KMT2A (0.50) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL12589838 0.82 MAPK14 (0.49) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL19396275 0.82 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL19396272 0.81 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL19396257 0.81 L3MBTL3 (0.62) ALDH1A1HPGDL3MBTL3L3MBTL1
SCHEMBL15905580 0.81 ALDH1A1 (0.41) ALDH1A1RAB9ANPC1KDM4EMAPT
SCHEMBL12589839 0.81 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1KDM4EMAPT

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 1300/4885RAB9A 960/4885NPC1 3863/4885

“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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