SCHEMBL7745017

SCHEMBL7745017

Nc1cccc(C2=NCCO2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MECP2 P51608 1/20 0.46
MAOA P21397 1/20 0.44
MAP4K4 O95819 5/20 0.42
MEN1 O00255 2/20 0.41
PSIP1 O75475 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL10523764 0.90 NOS3 (0.46) MECP2MAOAMAP4K4MEN1PSIP1
SCHEMBL105809 0.87 NPC1 (0.41)
SCHEMBL20410845 0.83 NPC1 (0.39)
SCHEMBL10520530 0.80 KCNH2 (0.38)
Carbimide SCHEMBL29055881 0.80 NPC1 (0.37)
SCHEMBL27260114 0.80 NISCH (0.46) MAOA
SCHEMBL23054974 0.79 KCNH2 (0.37)
SCHEMBL1338566 0.79 NISCH (0.47) ALDH1A1MAPTHPGDKMT2A
SCHEMBL29364765 0.79 CHRNB4 (0.47) MEN1KDM4EALDH1A1MAPTHPGD
SCHEMBL4751753 0.79 CHRNB4 (0.47) ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions BASF CORPORATION 2001-08-30 US disclosed
US-6235901-B1 CAN BE POLYMERIZED AND/OR COPOLYMERIZED BY CATONIC POLYMERIZATION; CAN BE CROSSLINKED AND ARE USEFUL IN COATINGS, INKS, OVERPRINT VARNISHES, AND SURFACE TREATMENT APPLICATIONS. S. C. JOHNSON COMMERCIAL MARKETS, INC. 2001-05-22 US disclosed
WO-2000068212-A1 OXAZOLINE OR OXAZINE ACETOACETATE AQUEOUS COATING COMPOSITIONS S. C. JOHNSON COMMERCIAL MARKETS, INC. (US) 2000-11-16 WO disclosed
US-5491201-A HEAT/CHEMICAL RESISTANCE; HIGH MECHANICAL STRENGTH THE DOW CHEMICAL COMPANY (US) 1996-02-13 US disclosed
US-5338828-A Mesogenic cyclic imino ether-containing compositions and polymerization products thereof THE DOW CHEMICAL COMPANY (US) 1994-08-16 US disclosed
US-5281675-A Liquid crystal polymers THE DOW CHEMICAL COMPANY (US) 1994-01-25 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 (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-20010018516-A1 Oxazoline or oxazine acetoacetate aqueous coating compositions ITGB7, DNMT3A, KAT7 MECP2 72/4885MAOA 555/4885MAP4K4 2684/4885

“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.