SCHEMBL4111972

SCHEMBL4111972

c1ccc2[nH]c(CC3CCCC3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.70
LMNA P02545 1/20 0.58
GRIN2B Q13224 2/20 0.58
GRIN1 Q05586 1/20 0.58
AAK1 Q2M2I8 1/20 0.57
DDAH1 O94760 1/20 0.56
POLB P06746 1/20 0.56
HTR2B P41595 2/20 0.55
HTT P42858 1/20 0.54
GAA P10253 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BCHE P06276 1/20 0.51
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL6759257 0.98 IDO1 (0.68) IDO1LMNAGRIN2BGRIN1AAK1
SCHEMBL1825671 0.93 IDO1 (0.79) IDO1LMNAGRIN2BGRIN1DDAH1
SCHEMBL3701887 0.87 IDO1 (0.67) IDO1LMNAGRIN2BGRIN1DDAH1
SCHEMBL1299032 0.87 IDO1 (0.67) IDO1LMNAGRIN2BGRIN1DDAH1
SCHEMBL23111745 0.85 IDO1 (0.65) IDO1LMNAGRIN2BGRIN1DDAH1
SCHEMBL7083093 0.85 IDO1 (0.74) IDO1GRIN2BGRIN1DDAH1POLB
SCHEMBL6757232 0.85 LMNA (0.62) IDO1LMNADDAH1POLBHTT
SCHEMBL2030001 0.85 IDO1 (0.57) IDO1LMNAGRIN2BGRIN1AAK1
SCHEMBL4110878 0.84 LMNA (0.64) IDO1LMNADDAH1POLBHTT
SCHEMBL21034378 0.83 IDO1 (1.00) IDO1GRIN2BGRIN1DDAH1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976187-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY The Regents of the University of California (US) 2022-04-06 EP disclosed
CN-114007692-A Methods and compositions for treating epilepsy 加利福尼亚大学董事会 2022-02-01 CN disclosed
WO-2020243349-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-03 WO disclosed
WO-2020243349-A1 METHODS AND COMPOSITIONS FOR TREATING EPILEPSY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-12-03 WO disclosed
WO-2007117778-A9 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS INC (US) 2009-05-22 WO disclosed
EP-1986747-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS Kalypsys, Inc. (US) 2008-11-05 EP disclosed
US-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2008-06-12 US disclosed
WO-2007117778-A2 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS KALYPSYS, INC. (US) 2007-10-18 WO disclosed
US-6712262-B2 BENZIMIDAZOLE AND IODINE COMPOUNDS TAMURAKAKEN CORPORATION (JP) 2004-03-30 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 (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-20080139558-A1 QUINOLONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS NOS2, NOS1, NQO2 IDO1 160/4885LMNA 2981/4885GRIN2B 3130/4885

“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.