SCHEMBL21812212

SCHEMBL21812212

O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cccc(-c2ncccn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.54
▸ KDM1A O60341 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ COMT P21964 1/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KCNK3 O14649 1/20 0.44
▸ KCNK9 Q9NPC2 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL31680549 0.87 MMP2 (0.54) MMP2MMP9COMTMMP8MMP13
SCHEMBL15094744 0.86 KMT2A (0.49) MMP2MMP9COMTMMP8MMP13
SCHEMBL21067860 0.86 KMT2A (0.58) NPC1RAB9ASMN1; SMN2HPGDKCNK3
SCHEMBL9589707 0.84 NPC1 (0.49) MAOAMAOBMMP2MMP9MMP8
SCHEMBL15094666 0.83 RAB9A (0.54) NPC1RAB9ASMN1; SMN2TSHRMAPT
SCHEMBL15094758 0.82 RXFP1 (0.48) MAOAMAOB
SCHEMBL1249670 0.81 NPC1 (0.55) MMP2MMP9COMTMMP8MMP13
SCHEMBL15094761 0.81 BRAF (0.50) MAOAKDM1AMAOBMMP2MMP9
SCHEMBL16341283 0.80 MAOA (0.53) MAOAMAOBMMP2MMP9COMT
SCHEMBL22167182 0.80 MGLL (0.54) ALDH1A1MAPTKMT2AMEN1ACHE

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-10604493-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2020-03-31 — — US claimed

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-10604493-B2 Compositions, methods of use, and methods of treatment LIPA, LCT, GAA MAOA 104/4885KDM1A 1016/4885MAOB 74/4885

“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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