SCHEMBL1107101

SCHEMBL1107101

N#Cc1ccc(Cc2ccc(N=C=O)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.74
TSHR P16473 1/20 0.74
CYP1A2 P05177 1/20 0.54
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
LOXL2 Q9Y4K0 2/20 0.46
CYP2A6 P11509 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
IDH1 O75874 1/20 0.41
CTBP2 P56545 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CYP19A1 P11511 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
KCNJ1 P48048 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP1B1 Q16678 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
SCHEMBL12628544 0.95 CYP3A4 (0.67) CYP3A4TSHRCYP1A2SAE1UBA2
SCHEMBL13907414 0.89 TSHR (0.57) CYP3A4TSHRCYP1A2LOXL2CYP2A6
SCHEMBL135741 0.88 CYP3A4 (0.52) CYP3A4TSHRCYP1A2LOXL2CYP2A6
Water SCHEMBL8522858 0.88 CYP3A4 (0.95) CYP3A4TSHRCYP1A2SAE1UBA2
SCHEMBL12446977 0.87 CYP3A4 (0.56) CYP3A4TSHRCYP1A2SAE1UBA2
SCHEMBL19943 0.86 CYP3A4 (1.00) CYP3A4TSHRCYP1A2HTTMAPK1
SCHEMBL12852256 0.86 CYP3A4 (1.00) CYP3A4TSHRCYP1A2HTTMAPK1
SCHEMBL1396496 0.86 CYP3A4 (1.00) CYP3A4TSHRCYP1A2HTTMAPK1
SCHEMBL2044965 0.86 CYP3A4 (1.00) CYP3A4TSHRCYP1A2HTTMAPK1
SCHEMBL30634516 0.84 CYP3A4 (0.95) CYP3A4TSHRCYP1A2HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017016755-A1 ORGANIC AEROGELS BASED ON ISOCYANATE AND CYCLIC ETHER POLYMER NETWORKS HENKEL AG & CO. KGAA (DE) 2017-02-02 WO disclosed
US-8329850-B2 Golf equipment formed from castable formulation with unconventionally low hardness and increased shear resistance ACUSHNET COMPANY (US) 2012-12-11 US disclosed
US-20120296003-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL RESTORATIVE MATERIAL, AND CURED PRODUCT MITSUI CHEMICALS, INC (JP) 2012-11-22 US disclosed
US-20120289619-A1 Flame Retardant Polyurethane Foams Containing Biuret Linkages DOW GLOBAL TECHNOLOGIES LLC. 2012-11-15 US disclosed
US-8257913-B2 Processing method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-09-04 US disclosed
US-8151705-B2 Method of preparing lithographic printing plate FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-8119326-B2 Lithographic-printing plate precursor and image forming method using the same EASTMAN KODAK COMPANY (US) 2012-02-21 US disclosed
US-7994269-B2 Golf equipment formed from castable formulation with unconventionally low hardness and increased shear resistance ACUSHNET COMPANY (US) 2011-08-09 US disclosed
US-7985535-B2 Image-forming method and lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2011-07-26 US disclosed
US-20110105636-A1 ORGANIC AEROGEL, COMPOSITION FOR THE MANUFACTURE OF THE ORGANIC AEROGEL, AND METHOD OF MANUFACTURING THE ORGANIC AEROGEL SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-05-05 US disclosed
US-20090053653-A1 POLYMERIZABLE COMPOSITION AND LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-02-26 US disclosed
US-7491487-B2 Polymerizable composition and lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2009-02-17 US disclosed
US-7449282-B2 Lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2008-11-11 US disclosed
US-20080268372-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed
US-20080261153-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2008-10-23 US disclosed
US-20080194881-A1 Copolymers having functional end groups of sulfonyl fluorides and acyl fluorides; macromer promoters useful for both condensation and addition polymerizations for elastomers and polymershaving a crystal structure; mechanical properties; lubricants for magnetic disks; adhesives SOLVAY SOLEXIS S.P.A. (IT) 2008-08-14 US disclosed
US-20080161214-A1 Urea-Based Lubricating Grease Composition SHELL OIL COMPANY (US) 2008-07-03 US disclosed
US-20080071021-A1 FLUOROACRYLATE-MERCAPTOFUNCTIONAL COPOLYMERS 3M INNOVATIVE PROPERTIES COMPANY 2008-03-20 US disclosed
US-20080057437-A1 heat-decomposable cured polyurethane having an aromatic group is directly connected to a urethane bond; high sensitivity to easily form a pattern FUJIFILM CORPORATION (JP) 2008-03-06 US disclosed
WO-2007126410-A2 HYBRID ORGANIC-INORGANIC MATERIALS AND METHODS OF PREPARING THE SAME ASPEN AEROGELS INC. (US) 2007-11-08 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-20080194881-A1 Copolymers having functional end groups of sulfonyl fluorides and acyl fluorides; macromer promoters useful for both condensation and addition polymerizations for elastomers and polymershaving a crystal structure; mechanical properties; lubricants for magnetic disks; adhesives FOXO1, FOXM1, F12 CYP3A4 3727/4885TSHR 1254/4885CYP1A2 2818/4885
US-20120296003-A1 DENTAL MATERIAL, DENTAL MATERIAL COMPOSITION, DENTAL RESTORATIVE MATERIAL, AND CURED PRODUCT CAD, SEM1, REV1 CYP3A4 4021/4885TSHR 4854/4885CYP1A2 2796/4885

“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.