SCHEMBL4043568

SCHEMBL4043568

Nc1cc(Cl)ccc1C(=O)CCl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPK1 P28482 2/20 0.67
HIF1A Q16665 1/20 0.67
ABL1 P00519 1/20 0.56
GSK3B P49841 2/20 0.48
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALOX15 P16050 2/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
Hydrochloric Acid SCHEMBL4046791 0.98 ALDH1A1 (0.65) ALDH1A1MAPK1HIF1AABL1GSK3B
SCHEMBL2450666 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1HIF1AABL1GSK3B
SCHEMBL30249612 0.83 ABL1 (0.59) ALDH1A1MAPK1HIF1AABL1FLT1
SCHEMBL8129402 0.83 ABL1 (0.54) ALDH1A1MAPK1HIF1AABL1GSK3B
SCHEMBL9041985 0.83 ABL1 (0.59) ALDH1A1MAPK1HIF1AABL1FLT1
SCHEMBL5636998 0.82 ABL1 (0.50) ALDH1A1MAPK1HIF1AABL1FLT1
SCHEMBL20447579 0.81 GSK3B (0.48) ALDH1A1MAPK1HIF1AGSK3BKDM4E
SCHEMBL18637905 0.80 ABL1 (0.51) ALDH1A1MAPK1HIF1AABL1FLT1
SCHEMBL7447640 0.80 ABL1 (0.56) ALDH1A1MAPK1HIF1AABL1FLT1
SCHEMBL27439105 0.80 ABL1 (0.51) ALDH1A1MAPK1HIF1AABL1FLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970097-B1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS VISTAGEN THERAPEUTICS INC (US) 2018-10-31 EP claimed
US-9834801-B2 Methods for the synthesis of chiral kynurenine compounds VISTAGEN THERAPEUTICS, INC. (US) 2017-12-05 US claimed
US-20160032334-A1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS VISTAGEN THERAPEUTICS, INC. 2016-02-04 US claimed
EP-2970097-A1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS Vistagen Therapeutics, Inc. (US) 2016-01-20 EP claimed
WO-2014152752-A1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS VISTAGEN THERAPEUTICS, INC. (US) 2014-09-25 WO claimed
CN-116891484-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-10-17 CN disclosed
US-10294502-B2 Methods for the synthesis of chiral kynurenine compounds VISTAGEN THERAPEUTICS, INC. (US) 2019-05-21 US disclosed
US-10294502-B2 Methods for the synthesis of chiral kynurenine compounds VISTAGEN THERAPEUTICS, INC. (US) 2019-05-21 US disclosed
EP-2970097-B1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS VISTAGEN THERAPEUTICS INC (US) 2018-10-31 EP disclosed
US-20180305298-A1 DEUTERATED CHLOROKYNURENINES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS CEPHALON, INC. 2018-10-25 US disclosed
EP-3362423-A1 DEUTERATED CHLOROKYNURENINES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Auspex Pharmaceuticals, Inc. (US) 2018-08-22 EP disclosed
US-20180171372-A1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS VISTAGEN THERAPEUTICS, INC. (US) 2018-06-21 US disclosed
EP-1503998-B1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME (GB) 2009-07-01 EP disclosed
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase COLLINS IAN J 2008-03-20 US disclosed
US-7282513-B2 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LIMITED (GB) 2007-10-16 US disclosed
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-08-03 US disclosed
US-7041689-B2 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME LTD. (GB) 2006-05-09 US disclosed
US-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase MERCK SHARP & DOHME (UK) LIMITED (GB) 2005-08-18 US disclosed
EP-1503998-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SUFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
WO-2003093252-A1 HETEROARYL SUBSTITUTED SPIROCYCLIC SULFAMIDES FOR INHIBITION OF GAMMA SECRETASE MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 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 (6 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-20050182109-A1 Heteroaryl substituted spriocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 ALDH1A1 2941/4885MAPK1 3820/4885HIF1A 3673/4885
US-20180305298-A1 DEUTERATED CHLOROKYNURENINES FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS GRIK3, GRIK1, GRIK2 ALDH1A1 3248/4885MAPK1 3595/4885HIF1A 2150/4885
US-20180171372-A1 METHODS FOR THE SYNTHESIS OF CHIRAL KYNURENINE COMPOUNDS KYNU, KMO, AADAT ALDH1A1 2822/4885MAPK1 2237/4885HIF1A 3209/4885
US-20060173054-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 ALDH1A1 2492/4885MAPK1 3911/4885HIF1A 4013/4885
US-10294502-B2 Methods for the synthesis of chiral kynurenine compounds KYNU, KMO, AADAT ALDH1A1 2822/4885MAPK1 2237/4885HIF1A 3209/4885
US-20080070895-A1 Heteroaryl substituted spirocyclic sulfamides for inhibition of gamma secretase BACE1, BACE2, PSEN1 ALDH1A1 2492/4885MAPK1 3911/4885HIF1A 4013/4885

“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.