SCHEMBL3226264

SCHEMBL3226264

COc1cccc(C(=N)N)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 3/20 0.51
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
POLB P06746 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 2/20 0.45
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 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
SCHEMBL28104077 0.82 MAPT (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL27531684 0.82 KMT2A (0.53) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29970206 0.82 CA1 (0.56) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL128193 0.82 CA1 (0.56) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL14953198 0.81 KMT2A (0.60) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL261504 0.81 MAPT (0.56) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL28185314 0.81 CA1 (0.46) ALDH1A1HSD17B10TP53HPGDCA12
SCHEMBL25670705 0.81 PRSS1 (0.42) KMT2AMEN1ALDH1A1GAAHSD17B10
SCHEMBL1544934 0.81 KLK1 (0.58) ALDH1A1HSD17B10TP53HPGDCA12
Hydrochloric Acid SCHEMBL3284355 0.80 CA1 (0.54) NPC1RAB9AALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110255694-A A kind of method of artificial synthesized redox mediators activation potassium permanganate degradation organic pollutants 重庆大学 2019-09-20 CN disclosed
CN-101146529-B Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD 2012-08-29 CN disclosed
WO-2010019547-A1 IMINE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2010-02-18 WO disclosed
CN-101146529-A Novel thiophene derivatives as sphingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2008-03-19 CN disclosed
US-6797824-B2 UEFUL IN THE DIAGNOSIS AND THERAPY OF AFFECTIVE DISORDERS SUCH AS SCHIZOPHRENIA AND DEPRESSION AS WELL AS CERTAIN MOVEMENT DISORDERS SUCH AS PARKINSONISM NEUROGEN CORPORATION 2004-09-28 US disclosed
US-20030018025-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives: new classes of dopamine receptor subtype specific ligands NEUROGEN CORPORATION, CORPORATION OF THE STATE OF DELAWARE 2003-01-23 US disclosed
US-20020143044-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives; new classes of dopamine receptor subtype specific ligands NEUROGEN CORPORATION 2002-10-03 US disclosed
US-6358955-B1 SCHIZOPHRENIA, PSYCHOLOGICAL DISORDERS, PARKINSON*S DISEASE; ANTIDEPRESSANTS NEUROGEN CORPORATION 2002-03-19 US disclosed
US-6069251-A HIGHLY SELECTIVE PARTIAL AGONISTS OR ANTAGONISTS AT BRAIN DOPAMINE RECEPTOR SUBTYPES OR PRODRUGS; DIAGNOSIS AND TREATMENT SCHIZOPHRENIA; ANTIDEPRESSANTS; CERTAIN MOVEMENT DISORDERS SUCH AS PARKINSONISM. NEUROGEN CORPORATION (US) 2000-05-30 US disclosed
US-5712392-A DOPAMINERGIC AGENTS TREATING SCHIZOPHRENIA, ANTIDEPRESSANTS FOR PARKINSON'S DISEASE NEUROGEN CORPORATION (US) 1998-01-27 US disclosed
US-5646281-A FOR USE IN THE DIAGNOSIS AND TREATMENT OF SCHIZOPHRENIA, DEPRESSION AND PARKINSON*S DISEASE NEUROGEN CORPORATION (US) 1997-07-08 US disclosed
US-5646279-A USEFUL IN THE DIAGNOSIS AND TREATMENT OF AFFECTIVE DISORDERS, MOVEMENT DISORDERS AND SIDE EFFECTS ASSOCIATED WITH NEUROLEPTIC AGENTS NEUROGEN CORPORATION (US) 1997-07-08 US disclosed
US-5633376-A Certain aminomethyl phenylimidazole derivatives; and 4-aryl substituted piperazinyl and piperidinylmethyl phenylimidazole derivatives; a new class of dopamine receptor subtype ligands NEUROGEN CORPORATION (US) 1997-05-27 US disclosed
US-5633377-A DIAGNOSIS, THERAPY OF SCHIZOPHRENIA, DEPRESSION, PARKINSON'SDISEASE NEUROGEN CORPORATION (US) 1997-05-27 US disclosed
WO-1996016040-A1 CERTAIN 4-AMINOMETHYL-2-SUBSTITUTED IMIDAZOLE DERIVATIVES AND 2-AMINOMETHYL-4-SUBSTITUTED IMIDAZOLE DERIVATIVES; NEW CLASSES OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-05-30 WO disclosed
WO-1996010018-A1 CERTAIN AMINOMETHYL PHENYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1996-04-04 WO disclosed
US-5428164-A Useful for treating and diagnosis of schizophrenia and depression as well as parkinson's disease NEUROGEN CORPORATION (US) 1995-06-27 US disclosed
EP-0640075-A1 CERTAIN AMINOMETHYL PHENYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1995-03-01 EP disclosed
US-5159083-A Treatment of schizophrenia, depression, parkinson's disease; side effect reduction NEUROGEN CORPORATION (US) 1992-10-27 US disclosed
WO-1992012134-A2 CERTAIN AMINOMETHYL PHENYLIMIDAZOLE DERIVATIVES; A NEW CLASS OF DOPAMINE RECEPTOR SUBTYPE SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1992-07-23 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 (2 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-20030018025-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives: new classes of dopamine receptor subtype specific ligands CHRNA4, GRIA4, OPRM1 KMT2A 1287/4885MEN1 4654/4885NPC1 4505/4885
US-20020143044-A1 Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives; new classes of dopamine receptor subtype specific ligands DRD2, OPRM1, OPRD1 KMT2A 1336/4885MEN1 4741/4885NPC1 4186/4885

“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.