SCHEMBL54917

SCHEMBL54917

CC(C)(C)C(=O)Nc1cc[c]cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.75
MAPT P10636 4/20 0.58
ALDH1A1 P00352 2/20 0.58
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 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
SCHEMBL7733701 0.86 L3MBTL1 (1.00) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL5201283 0.85 L3MBTL1 (0.54) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL4573229 0.83 L3MBTL1 (0.52) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL202154 0.81 CA12 (0.53) L3MBTL1MAPTCA12CA1CA2
SCHEMBL83110 0.80 L3MBTL1 (0.78) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL4628897 0.79 L3MBTL1 (0.63) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL2076593 0.79 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL5523100 0.79 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL1422823 0.78 L3MBTL1 (0.83) L3MBTL1MAPTALDH1A1CA12CA1
SCHEMBL18033762 0.78 L3MBTL1 (0.83) L3MBTL1MAPTALDH1A1CA12CA1

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 164 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors AMGEN INC. (US) 2012-06-28 US claimed
EP-2398791-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS Amgen, Inc (US) 2011-12-28 EP claimed
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation BIOLIPOX AB (SE) 2011-12-01 US claimed
WO-2010096314-A1 INDOLE/BENZIMIDAZOLE COMPOUNDS AS mTOR KINASE INHIBITORS AMGEN INC. (US) 2010-08-26 WO claimed
WO-2010029300-A1 BIS AROMATIC COMPOUNDS FOR USE IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-03-18 WO claimed
CN-100562545-C Ink for inkjet recording and inkjet recording method FUJI PHOTO FILM CO LTD (JP) 2009-11-25 CN claimed
CN-100381513-C Ink set for inkjet recording and inkjet recording method FUJI PHOTO FILM CO LTD (JP) 2008-04-16 CN claimed
CN-100371401-C Ink composition and method of ink-jet recording FUJI PHOTO FILM CO LTD (JP) 2008-02-27 CN claimed
CN-100346968-C Ink-jet recording ink and method of ink-jet recording FUJI PHOTO FILM CO LTD (JP) 2007-11-07 CN claimed
US-20050192292-A1 Pyrrolidone carboxamides ACTELION PHARMACEUTICALS AG (CH) 2005-09-01 US claimed
EP-1463724-A1 PYRROLIDONE CARBOXAMIDES Actelion Pharmaceuticals Ltd. (CH) 2004-10-06 EP claimed
WO-2003059905-A1 PYRROLIDONE CARBOXAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2003-07-24 WO claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP disclosed
US-10894898-B2 Water-based ink for ink-jet recording and ink container BROTHER KOGYO KABUSHIKI KAISHA (JP) 2021-01-19 US disclosed
US-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2021-01-14 US disclosed
EP-0360289-A2 Positive working silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-03-28 EP disclosed
US-4692187-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1987-09-08 US disclosed
EP-0192111-A1 Iso-ureas, processes for their production and their use as herbicides BASF Aktiengesellschaft (DE) 1986-08-27 EP 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 (5 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-20210009575-A1 HYDROXYISOXAZOLINES AND DERIVATIVES THEREOF CYP4X1, CYP3A7, CYP4Z1 L3MBTL1 4074/4885MAPT 4072/4885ALDH1A1 1143/4885
US-20120165334-A1 Indole/Benzimidazole Compounds as mTOR Kinase Inhibitors MTOR, PIKFYVE, RICTOR L3MBTL1 2849/4885MAPT 2000/4885ALDH1A1 4371/4885
US-20050192292-A1 Pyrrolidone carboxamides NPY1R, NPY5R, NPY2R L3MBTL1 3047/4885MAPT 4395/4885ALDH1A1 3034/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 L3MBTL1 3213/4885MAPT 3139/4885ALDH1A1 631/4885
US-20110294853-A1 Bis Aromatic Compounds for Use in the Treatment of Inflammation LTC4S, LTB4R2, LTB4R L3MBTL1 569/4885MAPT 3484/4885ALDH1A1 663/4885

“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.