SCHEMBL4947094

SCHEMBL4947094

[CH2]c1ccnc(C(=O)N(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 1/20 0.39
PIK3C3 Q8NEB9 7/20 0.39
RAF1 P04049 4/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
ASPH Q12797 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TET2 Q6N021 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
KDM7A Q6ZMT4 1/20 0.36
KDM8 Q8N371 1/20 0.36
TET1 Q8NFU7 1/20 0.36

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
SCHEMBL4947098 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL2643035 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTL3MBTL1KDM6B
SCHEMBL31029421 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL883789 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL5700562 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL803789 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL621293 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL30276008 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTL3MBTL1CNR2
SCHEMBL17819893 0.76 FTO (0.67) ALDH1A1KDM4EMAPTKDM6BTET3
SCHEMBL127480 0.76 KDM4E (0.61) ALDH1A1KDM4EMAPTL3MBTL1KDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents BAYER PHARMACEUTICALS CORPORATION (US) 2008-11-27 US disclosed
EP-1765811-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS Bayer Pharmaceuticals Corporation (US) 2007-03-28 EP disclosed
WO-2006002383-A2 2-AMINOARYLCARBOXAMIDES USEFUL AS CANCER CHEMOTHERAPEUTIC AGENTS BAYER PHARMACEUTICALS CORPORATION (US) 2006-01-05 WO 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-20080293696-A1 2-Aminoarylcarboxamides Useful as Cancer Chemotherapeutic Agents ABCC3, HCCS, ABCC2 ALDH1A1 611/4885KDM4E 975/4885MAPT 4808/4885

“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.