SCHEMBL19217534

SCHEMBL19217534

OC1CNc2cc(Cl)ccc2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 2/20 0.36
LIMK1 P53667 1/20 0.36
IDO1 P14902 1/20 0.36
AHR P35869 2/20 0.33
HTR2C P28335 1/20 0.33
CMA1 P23946 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
CDC25B P30305 1/20 0.33

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
SCHEMBL29004245 0.78 HTR2C (0.40) KDM4EMEN1GLAGAAMAPT
SCHEMBL29004248 0.78 HTR2C (0.40) KDM4EMEN1GLAGAAMAPT
SCHEMBL15508323 0.78 HTR2C (0.40) KDM4EMEN1GLAGAAMAPT
SCHEMBL23728608 0.75 KDM4E (0.35) KDM4EMEN1GLAGAAMAPT
SCHEMBL728157 0.74 MEN1 (0.35) KDM4EMEN1GAAMAPTKMT2A
SCHEMBL27437424 0.74 TDP1 (0.35) KDM4EMEN1GLAGAAMAPT
SCHEMBL19905814 0.73 AHR (0.43) GAAIDO1AHRHTR2CCMA1
SCHEMBL30570965 0.70 HTR2C (0.40) KDM4EMEN1GLAGAAMAPT
SCHEMBL29070744 0.70 HTR2C (0.40) KDM4EMEN1GLAGAAMAPT
SCHEMBL8089058 0.69 KDM4E (0.48) KDM4EMEN1GAAMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides BASF SE (DE) 2017-08-10 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-20170223964-A1 Combination of Novel Nitrification Inhibitors and Herbicides as Well as Combination of (Thio)Phosphoric Acid Triamides and Herbicides NAT1, PRXL2A, DDAH1 KDM4E 4599/4885MEN1 4652/4885GLA 4012/4885

“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.