SCHEMBL887431

SCHEMBL887431

CCOC(=O)C(=[N+]=[N-])C(NC(=O)c1ccc2ccccc2c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
P2RY12 Q9H244 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
PIN1 Q13526 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
CASP1 P29466 2/20 0.40

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 0.88 SMN1; SMN2 (0.49) CA12CA1CA9NPC1RAB9A
SCHEMBL887432 0.81 TACR3 (0.47) CA12CA2CA9CNR2ALDH1A1
SCHEMBL887450 0.76 CTSK (0.53)
SCHEMBL29614973 0.74 ALDH1A1 (0.52) P2RY12NPC1RAB9APIN1HDAC3
SCHEMBL28349714 0.72 CES2 (0.50) CA12CA1CA2CA9P2RY12
SCHEMBL8610160 0.71 SMN1; SMN2 (0.55) NPC1RAB9AALDH1A1
SCHEMBL887430 0.71 ALDH1A1 (0.42) CA1CA2ALDH1A1
SCHEMBL3923931 0.70 SMN1; SMN2 (0.59) CA1CA2NPC1RAB9ACNR2
SCHEMBL28963867 0.69 NPC1 (0.51) CA12CA1CA2CA9P2RY12
SCHEMBL2705465 0.69 CES2 (0.61) CA12CA1CA2CA9P2RY12

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 CA12 3006/4885CA1 1857/4885CA2 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.