SCHEMBL94335

SCHEMBL94335

O=C([CH]c1ccccc1)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.67
MMP1 P03956 9/20 0.66
MMP2 P08253 9/20 0.66
MMP9 P14780 9/20 0.66
EGFR P00533 4/20 0.66
MAOB P27338 3/20 0.66
MAOA P21397 1/20 0.66
CYP1A2 P05177 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TP53 P04637 1/20 0.54
EPHX1 P07099 1/20 0.54
TSHR P16473 1/20 0.54
EPHX2 P34913 1/20 0.54
CDK9 P50750 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DEGS1 O15121 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL7444420 0.87 MMP1 (0.61) TGM2MMP1MMP2MMP9EGFR
SCHEMBL5326767 0.87 MMP1 (0.71) TGM2MMP1MMP2MMP9EGFR
SCHEMBL4985135 0.87 TAAR1 (0.59) TGM2MMP1MMP2MMP9EGFR
SCHEMBL4987866 0.82 NPC1 (0.73) TP53SMN1; SMN2KDM4EMEN1ALDH1A1
Styrene SCHEMBL17534942 0.80 TGM2 (0.81) TGM2MMP1MMP2MMP9EGFR
SCHEMBL81209 0.80 TGM2 (1.00) TGM2MMP1MMP2MMP9EGFR
SCHEMBL9840923 0.79 MMP1 (0.73) TGM2MMP1MMP2MMP9EGFR
SCHEMBL6302452 0.79 MMP1 (0.73) TGM2MMP1MMP2MMP9EGFR
SCHEMBL6302448 0.79 MMP1 (0.73) TGM2MMP1MMP2MMP9EGFR
N-Phenylcinnamamide SCHEMBL3667414 0.79 MMP1 (1.00) MMP1MMP2MMP9EGFRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-1730228-B1 NANO-COMPOSITE AND METHOD THEREOF BRIDGESTONE CORP (JP) 2012-08-15 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-1730228-A1 NANO-COMPOSITE AND METHOD THEREOF Bridgestone Corporation (JP) 2006-12-13 EP disclosed
US-20060173115-A1 Nano-composite and compositions manufactured thereof BRIDGESTONE CORPORATION (JP) 2006-08-03 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
WO-2005095506-A1 NANO-COMPOSITE AND METHOD THEREOF BRIDGESTONE CORPORATION (JP) 2005-10-13 WO disclosed
US-4613442-A OF TRIPHENYLMETHYL METHACRYLATE, FOR OPTICAL RESOLUTION DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-23 US disclosed
US-4511475-A RESOLUTION OF RACEMIC MIXTURES WITH TRIPHENYLMETHYL METHACRYLATE POLYMER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1985-04-16 US disclosed
EP-0034337-B1 A PROCESS FOR THE OPTICAL RESOLUTION OF A RACEMIC MIXTURE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1984-10-24 EP disclosed
US-4375495-A TRIPHENYLMETHYL METHACRYLATE, HELICES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1983-03-01 US 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-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TGM2 2975/4885MMP1 3533/4885MMP2 3437/4885
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 TGM2 3287/4885MMP1 4461/4885MMP2 2607/4885

“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.