SCHEMBL4058577

SCHEMBL4058577

Oc1nc(Cl)nc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.52
MAOB P27338 1/20 0.52
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
APP P05067 2/20 0.47
PDE5A O76074 1/20 0.47
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GLA P06280 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
DRD1 P21728 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL30170473 1.00 MAOA (0.52) MAOAMAOBALDH1A1KDM4EAPP
Benzoylenurea SCHEMBL1752723 0.77 KDM4E (0.45) MAOAMAOBALDH1A1KDM4EHPGD
Benzoylenurea SCHEMBL29460047 0.77 KDM4E (0.45) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL29389300 0.77 MAOA (0.56) MAOAMAOBALDH1A1KDM4EAPP
SCHEMBL92707 0.77 MAOA (0.56) MAOAMAOBALDH1A1KDM4EAPP
Bicarbonate SCHEMBL11023181 0.75 MAOA (0.48) MAOAMAOBALDH1A1KDM4EAPP
SCHEMBL8361293 0.75 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1CASP7
SCHEMBL7607540 0.75 GPR3 (0.54) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL4681829 0.74 GPR3 (0.59) MAOAMAOBALDH1A1KDM4EAPP
SCHEMBL17508358 0.74 MAOA (0.52) MAOAMAOBALDH1A1KDM4EAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4722198-A1 COMPOUNDS FOR USE IN THE TREATMENT OF BACTERIAL DISEASES AND INFECTIONS Technische Universität München, in Vertretung des Freistaats Bayern (DE) 2026-04-08 EP disclosed
EP-4125912-B1 COMPOUNDS FOR THE IN VITRO INHIBITION OF THE RNA-DEPENDENT RNA POLYMERASE OF CORONAVIRUSES R G C C HOLDINGS AG (CH) 2025-07-30 EP disclosed
EP-4125912-A1 NUCLEOTIDE ANALOGUES FOR THE TREATMENT OF CORONAVIRUSES R.G.C.C. Holdings AG (CH) 2023-02-08 EP disclosed
WO-2021191236-A1 NUCLEOTIDE ANALOGUES FOR THE TREATMENT OF CORONAVIRUSES R.G.C.C. Holdings AG (CH) 2021-09-30 WO disclosed
EP-3252045-B1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS ABBVIE INC (US) 2019-09-04 EP disclosed
US-10112911-B2 Substituted cyanoguanidines as oral anti-virals ABBVIE INC. (US) 2018-10-30 US disclosed
EP-3056207-B1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMA CO LTD (JP) 2018-06-20 EP disclosed
EP-2867221-B1 CYANOGUANIDINES AND THEIR SUE AS ANTIVIRAL AGENTS. ABBVIE INC (US) 2018-01-17 EP disclosed
EP-3252045-A1 CYANOGUANIDINES AND THEIR USE AS ANTIVIRAL AGENTS AbbVie Inc. (US) 2017-12-06 EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
EP-0669919-B1 USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 1999-01-27 EP disclosed
US-5863923-A TREATMENT OF ANXIETY, PSYCHOSIS, SCHIZOPHRENIA, DRUG ABUSE, IRRITABLE BOWEL SYNDROME JANSSEN PHARMACEUTICA N.V. (BE) 1999-01-26 US disclosed
EP-0885190-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1998-12-23 EP disclosed
US-5674868-A ADMINISTERING TO TREAT DISORDERS SUCH AS ANXIETY, PSYCHOSIS, DEPRESSION, SCHIZOPHRENIA, DURG ABUSE, MIGRAINE, EMESIS AND IRRITABLE BOWEL SYNDROME JANSSEN PHARMACEUTICA N.V. (BE) 1997-10-07 US disclosed
WO-1997031897-A1 NOVEL N-SUBSTITUTED 4-((4'-AMINOBENZOYL)-OXYMETHYL)-PIPERIDINES HAVING GASTRIC PROKINETIC PROPERTIES JANSSEN PHARMACEUTICA N.V. (BE) 1997-09-04 WO disclosed
EP-0669919-A1 USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1995-09-06 EP disclosed
WO-1994012494-A1 USE OF DIMETHYLBENZOFURANS AND DIMETHYLBENZOPYRANS AS 5-HT3 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1994-06-09 WO disclosed
EP-0034529-B1 TRIAZOLOQUINAZOLINONE DERIVATIVES AND THEIR ACID ADDITION SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1983-07-20 EP disclosed
US-4350695-A Antihistaminic and bronchospasmolytic triazoloquinazolinones ROUSSEL UCLAF (FR) 1982-09-21 US disclosed
EP-0034529-A1 Triazoloquinazolinone derivatives and their acid addition salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1981-08-26 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 (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-10112911-B2 Substituted cyanoguanidines as oral anti-virals RNGTT, GMPS, RNMT MAOA 882/4885MAOB 506/4885ALDH1A1 4019/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA MAOA 349/4885MAOB 232/4885ALDH1A1 2216/4885

“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.