SCHEMBL1107780

SCHEMBL1107780

Cc1ccn(-c2ccccc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
COMT P21964 1/20 0.55
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
CYP1A2 P05177 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL16976533 0.77 COMT (0.61) NOTUMCOMTDDB1CRBNCYP1A2
SCHEMBL13889904 0.74 NOTUM (0.55) NOTUMCOMTDDB1CRBNCYP1A2
SCHEMBL30613481 0.74 COMT (0.49) NOTUMCOMTDDB1CRBNCYP1A2
SCHEMBL3550482 0.73 NOTUM (0.53) NOTUMCOMTDDB1CRBNCYP1A2
SCHEMBL3260482 0.73 NOTUM (1.00) NOTUMCOMTKDM4EALDH1A1MEN1
SCHEMBL16220557 0.71 NOTUM (0.77) NOTUMCOMTDDB1CRBNCYP1A2
SCHEMBL4248794 0.71 COMT (1.00) NOTUMCOMTDDB1CRBNCYP1A2
SCHEMBL4396890 0.70 RAB9A (0.40) NOTUMCOMTDDB1CRBNSMN1; SMN2
SCHEMBL11350307 0.70 KDM4E (0.44) NOTUMCOMTCYP1A2SMN1; SMN2KDM4E
SCHEMBL13756345 0.69 NOTUM (0.53) NOTUMCOMTDDB1CRBNCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103756740-A Vehicle methanol fuel corrosion-inhibitor for various metals SHAANXI YCZL NEW ENERGY CO LTD 2014-04-30 CN claimed
EP-0902103-B1 SURFACE-TREATED METALLIC MATERIAL WITH CORROSION RESISTANCE AND SURFACE TREATMENT USED THEREFOR NIPPON STEEL CORP (JP) 2004-12-29 EP claimed
CN-1130473-C Corrosion-resistant surface-treated metal material and surface treating agent therefor NIPPON STEEL CORP (JP) 2003-12-10 CN claimed
US-6190780-B1 SURFACE TREATED METAL MATERIAL HAVING A CORROSION RESISTANT COATING LAYER CONSISTING ESSENTIALLY OF AN OXYACID COMPOUND OR HYDROGEN OXYACID COMPOUND OF A RARE EARTH ELEMENT OR GROUP IVA ELEMENT, OR A MIXTURE THEREOF, ON THE SURFACE OF A METAL NIPPON STEEL CORPORATION (JP) 2001-02-20 US claimed
CN-1213410-A Corrosion-resistant surface-treated metal material and surface treating agent therefor NIPPON STEEL CORP (JP) 1999-04-07 CN claimed
EP-0902103-A1 SURFACE-TREATED METALLIC MATERIAL WITH CORROSION RESISTANCE AND SURFACE TREATMENT USED THEREFOR NIPPON STEEL CORPORATION (JP) 1999-03-17 EP claimed
CN-103756740-B Vehicle methanol fuel corrosion-inhibitor for various metals SHAANXI YCZL NEW ENERGY CO LTD 2015-05-20 CN disclosed
CN-103756740-A Vehicle methanol fuel corrosion-inhibitor for various metals SHAANXI YCZL NEW ENERGY CO LTD 2014-04-30 CN disclosed
US-8216698-B2 Organic electroluminescence device, novel platinum complex compound and novel compound capable of being a ligand thereof FUJIFILM CORPORATION (JP) 2012-07-10 US disclosed
US-8153278-B2 Organic electroluminescence device FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20090267500-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2009-10-29 US disclosed
US-20090261721-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, NOVEL PLATINUM COMPLEX COMPOUND AND NOVEL COMPOUND CAPABLE OF BEING A LIGAND THEREOF FUJIFILM CORPORATION (JP) 2009-10-22 US disclosed
CN-101106992-A Novel quinolinium salts and derivatives IMMUSOL INC (US) 2008-01-16 CN disclosed
EP-0902103-B1 SURFACE-TREATED METALLIC MATERIAL WITH CORROSION RESISTANCE AND SURFACE TREATMENT USED THEREFOR NIPPON STEEL CORP (JP) 2004-12-29 EP disclosed
CN-1130473-C Corrosion-resistant surface-treated metal material and surface treating agent therefor NIPPON STEEL CORP (JP) 2003-12-10 CN disclosed
US-6190780-B1 SURFACE TREATED METAL MATERIAL HAVING A CORROSION RESISTANT COATING LAYER CONSISTING ESSENTIALLY OF AN OXYACID COMPOUND OR HYDROGEN OXYACID COMPOUND OF A RARE EARTH ELEMENT OR GROUP IVA ELEMENT, OR A MIXTURE THEREOF, ON THE SURFACE OF A METAL NIPPON STEEL CORPORATION (JP) 2001-02-20 US disclosed
CN-1213410-A Corrosion-resistant surface-treated metal material and surface treating agent therefor NIPPON STEEL CORP (JP) 1999-04-07 CN disclosed
EP-0902103-A1 SURFACE-TREATED METALLIC MATERIAL WITH CORROSION RESISTANCE AND SURFACE TREATMENT USED THEREFOR NIPPON STEEL CORPORATION (JP) 1999-03-17 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-20090261721-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, NOVEL PLATINUM COMPLEX COMPOUND AND NOVEL COMPOUND CAPABLE OF BEING A LIGAND THEREOF L1CAM, PDCD1LG2, CD274 NOTUM 2980/4885COMT 2326/4885DDB1 353/4885

“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.