SCHEMBL1099561

SCHEMBL1099561

C#Cc1ccc(N(CC)CC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
TSHR P16473 2/20 0.52
GFER P55789 2/20 0.52
MAPK1 P28482 2/20 0.52
PSMD14 O00487 1/20 0.52
CYP3A4 P08684 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH3A1 P30838 1/20 0.48
ALDH1A3 P47895 1/20 0.48
KDM4E B2RXH2 3/20 0.42
GAA P10253 3/20 0.42
CNR2 P34972 1/20 0.42
TERT O14746 1/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 2/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL13797740 0.89 MAPT (0.50) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL23822860 0.89 ALDH1A1 (0.53) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL8028832 0.85 KMT2A (0.42) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL5136014 0.82 CNR2 (0.43) TDP1KDM4ECNR2
SCHEMBL1735497 0.80 ALDH1A1 (0.74) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL560649 0.79 EGFR (0.41) ALDH1A1KDM4EGAACNR2MAPT
SCHEMBL1478591 0.78 HDAC8 (0.43) ALDH1A1L3MBTL1CYP3A4TDP1KDM4E
SCHEMBL2902079 0.77 ALDH1A1 (0.52) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL24023771 0.77 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRGFERMAPK1
SCHEMBL195134 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1TSHRGFERMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970696-B Coumarin oxime ester photoinitiator 江南大学 2022-12-23 CN claimed
CN-114249696-B Luminol compound, preparation method and application thereof, and pharmaceutical composition 四川大学 2023-05-12 CN disclosed
CN-109970696-B Coumarin oxime ester photoinitiator 江南大学 2022-12-23 CN disclosed
CN-114249696-A Luminol compound, preparation method and application thereof, and pharmaceutical composition 四川大学 2022-03-29 CN disclosed
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 EP disclosed
EP-2683714-B1 II (PI)-CONJUGATED FLUOROIONOPHORES AND METHOD FOR DETERMINING AN ALKALI ION UNIV POTSDAM (DE) 2019-01-09 EP disclosed
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-9493478-B2 Fused ring compound containing furan or salt thereof and pharmaceutical composition comprising same YUHAN CORPORATION (KR) 2016-11-15 US disclosed
WO-2016087596-A1 SECURININE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-06-09 WO disclosed
US-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME YUHAN CORPORATION (KR) 2015-07-09 US disclosed
US-8153446-B2 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2012-04-10 US disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems KENT STATE UNIVERSITY (US) 2010-02-04 US disclosed
US-20090299049-A1 Bicyclic Compounds and Their Use REPLIZYME LIMITED (GB) 2009-12-03 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
WO-2007091056-A2 BICYCLIC COMPOUNDS AND THEIR USE THE UNIVERSITY OF YORK (GB) 2007-08-16 WO 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-20150191478-A1 FUSED RING COMPOUND CONTAINING FURAN OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME PIK3CD, PIK3CA, MTOR ALDH1A1 3470/4885L3MBTL1 4873/4885TSHR 4514/4885
US-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD ALDH1A1 4208/4885L3MBTL1 85/4885TSHR 4259/4885
US-20100029952-A1 Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems MPI, ACR, PFAS ALDH1A1 1056/4885L3MBTL1 1877/4885TSHR 2426/4885
US-20090299049-A1 Bicyclic Compounds and Their Use ERCC4, PARP1, ERCC5 ALDH1A1 1108/4885L3MBTL1 838/4885TSHR 4050/4885

“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.