SCHEMBL3969790

SCHEMBL3969790

CN1C(=O)SC(c2ccc3cc(OCc4ccccc4F)ccc3c2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
KCNH2 Q12809 4/20 0.43
PTPN1 P18031 3/20 0.43
AR P10275 1/20 0.43
MAOB P27338 4/20 0.42
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
MCHR1 Q99705 1/20 0.40
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
SCN3A Q9NY46 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8877887 0.99 PARP15 (0.43) PARP15PARP10KCNH2PTPN1AR
SCHEMBL8877885 0.99 PARP15 (0.43) PARP15PARP10KCNH2PTPN1AR
SCHEMBL7634857 0.88 AR (0.37) ARMAOB
SCHEMBL7631011 0.84 GABRG2 (0.34) MAOB
SCHEMBL10281143 0.81 PTPN1 (0.48) PARP15PARP10PTPN1MAOBPTPN2
SCHEMBL8876338 0.81 PRKDC (0.41) PARP10PTPN1MCHR1NPC1RAB9A
SCHEMBL7637096 0.80 NR4A2 (0.42) PTPN1MCHR1
SCHEMBL7634109 0.80 KMT2A (0.38) ARMAOBSMN1; SMN2
SCHEMBL7635956 0.79 PTPN1 (0.45) PARP15PARP10KCNH2PTPN1AR
SCHEMBL8824985 0.77 ACHE (0.39) MAOBOPRM1OPRD1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US claimed
WO-2009043593-A1 COMBINATION THERAPY USING MEMANTINE AND GLITAZONES MERZ PHARMA GMBH & CO. KGAA (DE) 2009-04-09 WO disclosed
US-20040198774-A1 Preventive and/or remedial agent for disease attributable to arteriosclerotic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-10-07 US disclosed
EP-1419771-A1 PREVENTIVE AND/OR REMEDIAL AGENT FOR DISEASE ATTRIBUTABLE TO ARTERIOSCLEROTIC ACTIVITY Mitsubishi Pharma Corporation (JP) 2004-05-19 EP disclosed
EP-1186588-A1 6-HYDROXY-2-NAPHTHYLCARBINOL AND PROCESS FOR THE PREPARATION THEREOF MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-13 EP disclosed
US-5594016-A ANTIDIABETIC AGENTS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-01-14 US disclosed
EP-0604983-B1 Naphthalene derivatives MITSUBISHI CHEM CORP (JP) 1996-11-20 EP disclosed
EP-0604983-A1 Naphthalene derivatives Mitsubishi Chemical Corporation (JP) 1994-07-06 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 (1 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-20040198774-A1 Preventive and/or remedial agent for disease attributable to arteriosclerotic activity NR1H2, MSR1, APOB PARP15 4076/4885PARP10 4324/4885KCNH2 874/4885

“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.