SCHEMBL19396258

SCHEMBL19396258

Cc1cc(-c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)s2)nn1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 5/20 0.51
▸ CYP2C19 P33261 5/20 0.51
▸ MAPK14 Q16539 5/20 0.51
▸ HTR2B P41595 3/20 0.51
▸ PKM P14618 1/20 0.50
▸ CYP46A1 Q9Y6A2 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MGLL Q99685 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ PRSS12 P56730 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
SCHEMBL1593625 0.87 CYP2C9 (0.55) CYP2C9CYP2C19MAPK14HTR2BPKM
SCHEMBL12589837 0.86 ALDH1A1 (0.41) MAPK14PKMSMN1; SMN2MEN1KMT2A
SCHEMBL12589842 0.85 SCD5 (0.46) PKMSMN1; SMN2KMT2AALDH1A1
SCHEMBL12589838 0.83 MAPK14 (0.49) MAPK14PKMSMN1; SMN2ALDH1A1
SCHEMBL12589839 0.81 ALDH1A1 (0.44) MAPK14PKMSMN1; SMN2ALDH1A1
SCHEMBL12589844 0.80 L3MBTL3 (0.47) MAPK14ALDH1A1
SCHEMBL12589845 0.80 ALDH1A1 (0.40) MAPK14PKMSMN1; SMN2ALDH1A1
SCHEMBL17624645 0.79 MAPT (0.47) MAPK14PKMSMN1; SMN2KMT2AALDH1A1
SCHEMBL19396257 0.79 L3MBTL3 (0.62) ALDH1A1
SCHEMBL12589840 0.78 CYP46A1 (0.47) PKMCYP46A1SMN1; SMN2ALDH1A1

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 CYP2C9 587/4885CYP2C19 194/4885MAPK14 1743/4885

“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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