SCHEMBL4144902

SCHEMBL4144902

Cc1c(F)cnc(Cl)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
SIRT6 Q8N6T7 1/20 0.35
DAO P14920 1/20 0.34
TSHR P16473 1/20 0.33
NNMT P40261 1/20 0.33
CYP2C9 P11712 2/20 0.32
PKMYT1 Q99640 2/20 0.32
CASP1 P29466 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
ACVR1 Q04771 1/20 0.31
PLAU P00749 1/20 0.31
HTT P42858 1/20 0.31
MAPT P10636 1/20 0.31
MAP4K4 O95819 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31

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
SCHEMBL27344761 0.84 SMN1; SMN2 (0.42) DAO
SCHEMBL22836873 0.81 POLB (0.38) POLBSIRT6DAONNMTCASP1
SCHEMBL28475154 0.81 POLB (0.46) POLBSIRT6DAOTSHRNNMT
SCHEMBL27448979 0.81 POLB (0.50) POLBSIRT6TSHRNNMTCYP2C9
SCHEMBL30867441 0.79 POLB (0.43) POLBSIRT6TSHRNNMTCYP2C9
SCHEMBL24469523 0.75 POLB (0.43) POLBSIRT6TSHRNNMTCYP2C9
SCHEMBL31368709 0.75 POLB (0.47) POLBSIRT6TSHRNNMTCYP2C9
SCHEMBL27904171 0.74 POLB (0.50) POLBSIRT6TSHRNNMTCYP2C9
SCHEMBL22544354 0.73 NPC1 (0.36) DAOHTTKCNQ3KCNQ2KCNE1
SCHEMBL17478840 0.73 SMN1; SMN2 (0.42) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 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-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 POLB 3938/4885SIRT6 2764/4885DAO 658/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 POLB 3823/4885SIRT6 2744/4885DAO 682/4885

“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.