SCHEMBL887432

SCHEMBL887432

CCOC(=O)C(=[N+]=[N-])C(NC(=O)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 4/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CNR2 P34972 2/20 0.45
CDC25B P30305 2/20 0.44
ELANE P08246 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
PLK1 P53350 1/20 0.41
TACR2 P21452 3/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 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
SCHEMBL887412 0.83 SMN1; SMN2 (0.49) CA12CA9ALDH1A1CNR2KDM4E
SCHEMBL887431 0.81 CA12 (0.46) CA12CA2CA9ALDH1A1CNR2
SCHEMBL887450 0.76 CTSK (0.53) TSHR
SCHEMBL8074423 0.74 CDC25B (0.56) CA12CA2CA9ALDH1A1HPGD
SCHEMBL12985091 0.71 ALDH1A1 (0.54) ALDH1A1THRBHPGDL3MBTL1CNR2
SCHEMBL12218397 0.70 ALDH1A1 (0.65) TACR3ALDH1A1HPGDL3MBTL1ELANE
SCHEMBL697232 0.69 CDC25B (0.63) CA12CA2CA9ALDH1A1HPGD
SCHEMBL8737627 0.69 PLK1 (0.66) ALDH1A1THRBHPGDL3MBTL1MEN1
SCHEMBL22062251 0.68 CDC25B (0.61) CA12CA2CA9ALDH1A1HPGD
SCHEMBL9831137 0.68 PLK1 (0.60) ALDH1A1THRBHPGDL3MBTL1PLK1

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 TACR3 4480/4885CA12 3006/4885CA2 993/4885

“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.