SCHEMBL3450752

SCHEMBL3450752

C#CCN1CCc2ccccc2C1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
HTR1A P08908 3/20 0.45
HTR7 P34969 3/20 0.45
DRD3 P35462 3/20 0.45
HTR2A P28223 2/20 0.45
HTR2B P41595 2/20 0.45
CARM1 Q86X55 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 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
SCHEMBL30443592 1.00 KDM4E (0.49) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL20421607 0.86 MAOA (0.42) ALDH1A1MAOAMAOBCARM1
SCHEMBL24228044 0.82 KDM4E (0.54) KDM4EALDH1A1HDAC3HDAC1HDAC8
SCHEMBL30574999 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL4033643 0.81 ALDH1A1 (0.49) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL13754592 0.79 MAOA (0.48) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL20883898 0.78 DRD2 (0.39) DRD3CARM1DRD2
SCHEMBL12450090 0.78 CARM1 (0.51) MAOBDRD3CARM1DRD2
SCHEMBL21267646 0.78 JAK2 (0.43) ALDH1A1MAOBDRD3DRD2
SCHEMBL20884939 0.78 DRD2 (0.42) ALDH1A1MAOBDRD3CARM1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2023-08-31 US disclosed
CN-116472267-A Butyrylcholinesterase reactivating agent 法兰西国由中央军队卫生服务局代表 2023-07-21 CN disclosed
EP-4188919-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS Etat Français représenté par la Direction Centrale Du Service de Santé des Armées (FR) 2023-06-07 EP disclosed
EP-2029570-B1 FUSED THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-10-15 EP disclosed
WO-2014035707-A1 GAPDH CASCADE INHIBITOR COMPOUNDS AND METHODS OF USE AND TREATMENT OF STRESS INDUCED DISORDERS INCLUDING MENTAL ILLNESS THE JOHNS HOPKINS UNIVERSITY (US) 2014-03-06 WO disclosed
US-8324204-B2 Fused thiophene derivatives as kinase inhibitors UCB PHARMA SA (BE) 2012-12-04 US disclosed
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-12-02 US disclosed
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-7820818-B2 Heteroaryl nitrile derivatives NOVARTIS AG (CH) 2010-10-26 US disclosed
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-1537111-B1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2007-05-02 EP disclosed
US-20060142575-A1 Hetereoaryl nitrile derivatives NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1603884-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-14 EP disclosed
EP-1537111-A1 HETEREOARYL NITRILE DERIVATIVES Novartis AG (CH) 2005-06-08 EP disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 WO disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 WO disclosed
WO-2004020441-A1 HETEREOARYL NITRILE DERIVATIVES NOVARTIS AG (CH) 2004-03-11 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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885ALDH1A1 3771/4885MAOA 2381/4885
US-20230270750-A1 CARBALDEHYDE OXIMES AS BUTYRYLCHOLINESTERASE REACTIVATORS BCHE, ACHE, CHAT KDM4E 1130/4885ALDH1A1 239/4885MAOA 104/4885
US-20090227596-A1 HETEROARYL NITRILE DERIVATIVES CTSK, CTSS, CTSZ KDM4E 1982/4885ALDH1A1 2393/4885MAOA 1869/4885
US-20060142575-A1 Hetereoaryl nitrile derivatives CTSK, CTSZ, CTSE KDM4E 1465/4885ALDH1A1 2727/4885MAOA 1582/4885
US-20100305066-A1 Fused Thiophene Derivatives as Kinase Inhibitors PIKFYVE, PI4KA, PIK3CA KDM4E 1014/4885ALDH1A1 3061/4885MAOA 3887/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 KDM4E 4818/4885ALDH1A1 3771/4885MAOA 2381/4885

“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.