SCHEMBL4352912

SCHEMBL4352912

O=C=NC(CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.43
CYP2C19 P33261 1/20 0.41
TRPA1 O75762 2/20 0.37
GSR P00390 1/20 0.37
NOS3 P29474 1/20 0.37
NOS2 P35228 1/20 0.37
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
HSD11B1 P28845 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 2/20 0.34
LMNA P02545 2/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL4640624 0.83 MIF (0.46) MIFCYP2C19NOS3NOS2CYP2D6
SCHEMBL10382191 0.81 CYP2C19 (0.59) MIFCYP2C19CYP2D6SRC
SCHEMBL6970517 0.80 MIF (0.67) MIFCYP2C19TRPA1NOS3NOS2
SCHEMBL727626 0.80 MIF (0.67) MIFCYP2C19TRPA1NOS3NOS2
SCHEMBL9438265 0.80 MIF (0.43) MIFCYP2C19NOS3NOS2CYP2D6
SCHEMBL3585197 0.80 MIF (0.43) MIFCYP2C19NOS3NOS2CYP2D6
SCHEMBL957752 0.80 MIF (0.67) MIFCYP2C19TRPA1NOS3NOS2
SCHEMBL320976 0.78 MIF (0.42) MIFCYP2C19NOS3NOS2CYP2D6
SCHEMBL1848616 0.78 EPHX1 (0.42) MIFCYP2C19CYP2D6
SCHEMBL3587542 0.77 MIF (0.41) MIFCYP2C19NOS3NOS2

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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-7358030-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2008-04-15 US disclosed
US-20060177763-A1 Method for producing compound having acid-labile group KYOWA HAKKO CHEMICAL CO., LTD. (JP) 2006-08-10 US disclosed
EP-1661918-A1 METHOD FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP Kyowa Hakko Chemical Co., Ltd. (JP) 2006-05-31 EP disclosed
US-20060074262-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-04-06 US disclosed
US-7015363-B2 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2006-03-21 US disclosed
US-20040181097-A1 Process for producing ether compound KYOWA YUKA CO., LTD. (JP) 2004-09-16 US disclosed
EP-1415968-A1 PROCESS FOR PRODUCING ETHER COMPOUND Kyowa Yuka Co., Ltd. (JP) 2004-05-06 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 (3 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-20090035702-A1 PROCESS FOR PRODUCING COMPOUND HAVING ACID-LABILE GROUP AGL, HACL2, ARL1 MIF 4326/4885CYP2C19 260/4885TRPA1 3475/4885
US-20060074262-A1 Process for producing ether compound AGL, ARL1, CYP2C8 MIF 4879/4885CYP2C19 62/4885TRPA1 852/4885
US-20040181097-A1 Process for producing ether compound CYP2E1, ARL1, MRPL21 MIF 4873/4885CYP2C19 101/4885TRPA1 1201/4885

“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.