SCHEMBL3332843

SCHEMBL3332843

CC(C)([O])c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.46
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
CYP19A1 P11511 3/20 0.38
RAB9A P51151 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM5 P08912 1/20 0.36
CHKA P35790 1/20 0.36
CYP17A1 P05093 1/20 0.36
BCHE P06276 1/20 0.36
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL27526789 0.79 KIF11 (0.52) KIF11LMNAMAPTCYP19A1RAB9A
SCHEMBL65312 0.77 KIF11 (0.71) KIF11LMNAMAPTCYP19A1RAB9A
SCHEMBL6428302 0.77 KIF11 (0.50) KIF11LMNAMAPTCYP19A1RAB9A
SCHEMBL820736 0.77 KIF11 (0.71) KIF11LMNAMAPTCYP19A1RAB9A
SCHEMBL28443995 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1RAB9A
Hydrochloric Acid SCHEMBL15140525 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1RAB9A
SCHEMBL20137330 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1RAB9A
Lithium SCHEMBL29576172 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1RAB9A
Ethane SCHEMBL3064994 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1RAB9A
SCHEMBL29245411 0.74 KIF11 (0.68) KIF11LMNAMAPTCYP19A1RAB9A

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
EP-2177519-B1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO (JP) 2015-05-27 EP disclosed
US-9029552-B2 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2015-05-12 US disclosed
US-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2014-01-02 US disclosed
EP-2669282-A1 Tetrazoyloxime derivative and plant disease control agent NIPPON SODA CO., LTD. (JP) 2013-12-04 EP disclosed
US-20100137594-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2010-06-03 US disclosed
EP-2177519-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2010-04-21 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 (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-20140005385-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, BROX, TTI2 KIF11 1625/4885LMNA 3560/4885MAPT 891/4885
US-20100137594-A1 TETRAZOYLOXIME DERIVATIVE AND PLANT DISEASE CONTROL AGENT PAOX, H1-10, HAX1 KIF11 249/4885LMNA 1593/4885MAPT 2912/4885

“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.