SCHEMBL24239349

SCHEMBL24239349

CN(N)NCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.52
IDO1 P14902 2/20 0.50
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41

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
SCHEMBL342670 0.81 CYP3A4 (0.52) AOC3IDO1CYP3A4MAPTKDM4E
Hydrochloric Acid SCHEMBL5162000 0.79 MAPT (0.56) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL16735543 0.77 IDO1 (0.50) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL14797789 0.76 CYP3A4 (0.46) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL8215112 0.76 TSHR (0.54) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL24239386 0.76 CYP3A4 (0.52) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL12286877 0.76 AOC3 (0.50) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL8854666 0.74 CYP3A4 (0.50) AOC3IDO1CYP3A4MAPTKDM4E
SCHEMBL26093384 0.74 CYP3A4 (0.45) IDO1CYP3A4MAPTKDM4ETHRB
Ethylbenzene SCHEMBL27988415 0.74 TP53 (0.58) AOC3IDO1CYP3A4MAPTKDM4E

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-20220033363-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES BAYER AKTIENGESELLSCHAFT (DE) 2022-02-03 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-20220033363-A1 HERBICIDALLY ACTIVE SUBSTITUTED PHENYLPYRIMIDINE HYDRAZIDES DDT, CBR3, CAT AOC3 977/4885IDO1 854/4885CYP3A4 239/4885

“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.