SCHEMBL12589845

SCHEMBL12589845

COC1CCN(C(=O)c2ccc(-c3cc(C)n(C)n3)s2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ HPGD P15428 3/20 0.39
▸ PARP1 P09874 2/20 0.39
▸ PARP2 Q9UGN5 2/20 0.39
▸ L3MBTL3 Q96JM7 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ERN1 O75460 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ SPR P35270 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ SLC9A1 P19634 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ LMNA P02545 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
SCHEMBL12589838 0.87 MAPK14 (0.49) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL12589839 0.85 ALDH1A1 (0.44) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL1594850 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL12589844 0.84 L3MBTL3 (0.47) ALDH1A1KDM4ENPC1RAB9APARP1
SCHEMBL12589837 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL17624645 0.83 MAPT (0.47) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL19396257 0.83 L3MBTL3 (0.62) ALDH1A1HPGDL3MBTL3L3MBTL1
SCHEMBL12589842 0.83 SCD5 (0.46) ALDH1A1KDM4ENPC1RAB9AL3MBTL1
SCHEMBL19396275 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ENPC1RAB9AHPGD
SCHEMBL19396258 0.80 CYP2C9 (0.51) ALDH1A1MAPK14PKMSMN1; SMN2

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 3 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
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — 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 (2 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-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885KDM4E 844/4885NPC1 3317/4885
US-20170273968-A1 MAO-B INHIBITORS AND REHABILITATION MAOB, MAOA, HTR2B ALDH1A1 1300/4885KDM4E 1355/4885NPC1 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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