SCHEMBL14122137

SCHEMBL14122137

NCCCCCCNc1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.48
▸ KAT2B Q92831 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SLC7A5 Q01650 3/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ HDAC3 O15379 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ NCOR2 Q9Y618 1/20 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
SCHEMBL18622663 0.87 CA12 (0.46) CHRM2KAT2BGAAEPHX2HDAC3
SCHEMBL2093975 0.83 CHRM2 (0.49) CHRM2GAAEPHX2HDAC3HDAC1
SCHEMBL19442421 0.78 CHRM2 (0.71) CHRM2KAT2BBRD4RAD52GBA1
SCHEMBL6230288 0.78 GAA (0.43) CHRM2GAAEPHX2GBA1IDO1
SCHEMBL7733811 0.78 GBA1 (0.54) CHRM2GAARAD52EPHX2HDAC3
SCHEMBL7736582 0.78 GAA (0.43) CHRM2GAAEPHX2HDAC3HDAC1
SCHEMBL11935548 0.76 POLB (0.49) CHRM2KAT2BGAAEPHX2HDAC3
SCHEMBL24267803 0.76 CHRM2 (0.82) CHRM2RAD52
SCHEMBL20232445 0.76 CHRM2 (0.82) CHRM2RAD52
SCHEMBL14120895 0.75 DRD2 (0.51) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604065-B2 Pyridyl cyanoguanidine derivatives Zhang, Hesheng (CN) 2013-12-10 — — US disclosed
US-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES TIANJIN HEMAY ONCOLOGY PHARMACEUTICAL CO., LTD. (CN) 2012-12-06 — — 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-20120309797-A1 PYRIDYL CYANOGUANIDINE DERIVATIVES PNPO, XDH, PDXK CHRM2 334/4885KAT2B 3463/4885GAA 893/4885

“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.

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