SCHEMBL880376

SCHEMBL880376

O=C1CC(c2ccccc2)c2ccccc2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.49
BRD4 O60885 4/20 0.46
CREBBP Q92793 3/20 0.46
DDB1 Q16531 1/20 0.46
CRBN Q96SW2 1/20 0.46
EP300 Q09472 1/20 0.46
IDO1 P14902 1/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.44
POLB P06746 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
SCHEMBL12698414 1.00 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2HSD17B10SIRT2
SCHEMBL7156373 1.00 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2HSD17B10SIRT2
SCHEMBL880444 0.87 TP53 (0.59) ALDH1A1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL880264 0.83 LMNA (0.67) ALDH1A1KMT2ATDP1L3MBTL1MEN1
SCHEMBL30005837 0.83 LMNA (0.67) ALDH1A1KMT2ATDP1L3MBTL1MEN1
SCHEMBL3053841 0.83 DDB1 (0.65) ALDH1A1TSHRSMN1; SMN2HSD17B10DDB1
SCHEMBL12559670 0.81 TDP1 (0.57) ALDH1A1TSHRSMN1; SMN2SIRT2KMT2A
SCHEMBL880446 0.81 KMT2A (0.48) TSHRSMN1; SMN2SIRT2BRD4CREBBP
SCHEMBL14094474 0.81 SIRT2 (0.66) ALDH1A1TSHRHSD17B10SIRT2KMT2A
SCHEMBL880497 0.80 KMT2A (0.53) ALDH1A1TSHRSMN1; SMN2KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109836383-B Method for preparing 3, 4-dihydroquinoline-2 (1H) -ketone compound 安徽理工大学 2022-04-19 CN disclosed
US-9834525-B2 Inhibitors of paxillin function and related compositions and methods UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2017-12-05 US disclosed
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2016-12-01 US disclosed
US-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2016-02-25 US disclosed
US-9212209-B2 Screening methods for spinal muscular atrophy INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-15 US disclosed
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY THE UNIVERSITY OF MASSACHUSETTS 2014-07-10 US disclosed
US-8440705-B2 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2013-05-14 US disclosed
EP-2433634-A2 Compounds, compositions and methods of inhibiting a-synuclein toxicity The Whitehead Institute for Biomedical Research (US) 2012-03-28 EP disclosed
US-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2008-10-23 US disclosed
US-7390801-B2 Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting β-amyloid peptide release and/or its synthesis by use of such compounds ATHENA NEUROSCIENCES, INC. (US) 2008-06-24 US disclosed
WO-1999067221-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed
EP-0951466-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS BY USE OF SUCH COMPOUNDS Elan Pharmaceuticals, Inc. (US) 1999-10-27 EP disclosed
US-5968952-A ANTITUMOR AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1999-10-19 US disclosed
CN-1200732-A Farnesyl transferase inhibiting 2-quinolone derivatives JANSSEN PHARMACEUTICA NV (BE) 1998-12-02 CN disclosed
WO-1998038177-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR INHIBITING β-AMYLOID PEPTIDE ELAN PHARMACEUTICALS, INC. (US) 1998-09-03 WO disclosed
WO-1998028268-A2 CYCLOALKYL, LACTAM, LACTONE AND RELATED COMPOUNDS AS β-AMYLOID PEPTIDE RELEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 1998-07-02 WO disclosed
WO-1997016443-A1 FARNESYL TRANSFERASE INHIBITING 2-QUINOLONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1997-05-09 WO disclosed
EP-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed
EP-0382687-A2 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-08-16 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 (4 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-20080261953-A1 Compounds, Compositions and Methods of Inhibiting Alpha-Synuclein Toxicity SNCA, PARK7, HTT ALDH1A1 171/4885TSHR 3894/4885SMN1; SMN2 41/4885
US-20160347725-A1 INHIBITORS OF PAXILLIN FUNCTION AND RELATED COMPOSITIONS AND METHODS CTTN, PTK2, CDC42 ALDH1A1 4856/4885TSHR 4226/4885SMN1; SMN2 1411/4885
US-20160052935-A1 COMPOUNDS FOR USE IN SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, MTPN ALDH1A1 1231/4885TSHR 4716/4885SMN1; SMN2 1/4885
US-20140193906-A1 SCREENING METHODS FOR SPINAL MUSCULAR ATROPHY SMN1; SMN2, MYOF, MTPN ALDH1A1 1386/4885TSHR 4677/4885SMN1; SMN2 1/4885

“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.