SCHEMBL16341283

SCHEMBL16341283

O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc2[nH]ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.53
▸ MAOB P27338 2/20 0.53
▸ NFATC1 O95644 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ COMT P21964 1/20 0.45
▸ MMP8 P22894 1/20 0.45
▸ MMP13 P45452 1/20 0.45
▸ AURKA O14965 1/20 0.44
▸ ABL1 P00519 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
SCHEMBL16341090 0.85 MAOB (0.62) MAOAMAOBNPC1RAB9A
SCHEMBL1249670 0.84 NPC1 (0.55) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL15094778 0.81 MAOB (0.56) MAOAMAOBNPC1RAB9A
SCHEMBL31680549 0.81 MMP2 (0.54) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL15094498 0.81 BRD4 (0.47) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL15094464 0.81 KMT2A (0.43) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL21812212 0.80 MAOA (0.54) MAOAMAOBNPC1RAB9AMAPT
SCHEMBL15094744 0.80 KMT2A (0.49) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL21067860 0.80 KMT2A (0.58) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL16322032 0.80 DHPS (0.50) NPC1RAB9AMAPTKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556131-B2 Compositions, methods of use, and methods of treatment UNIVERSITY OF SOUTH FLORIDA (US) 2017-01-31 — — US disclosed
US-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT UNIVERSITY OF SOUTH FLORIDA 2014-12-25 — — 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-20140378516-A1 COMPOSITIONS, METHODS OF USE, AND METHODS OF TREATMENT LIPA, LCT, GAA MAOA 104/4885MAOB 74/4885NFATC1 4336/4885

“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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