SCHEMBL2405727

SCHEMBL2405727

N#Cc1ccc(B(O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.73
CA2 P00918 3/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA1 P00915 2/20 0.48
MMP3 P08254 1/20 0.46
ORAI1 Q96D31 5/20 0.46
ORAI2 Q96SN7 5/20 0.46
ORAI3 Q9BRQ5 5/20 0.46
TRPV6 Q9H1D0 5/20 0.46
CYP2A6 P11509 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 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
SCHEMBL5164042 0.89 ORAI1 (0.67) ENPP2CA2CA12CA3CA6
SCHEMBL6016 0.84 ENPP2 (1.00) ENPP2CA2CA12CA3CA6
SCHEMBL12270501 0.84 ENPP2 (0.53) ENPP2CA2CA12CA3CA6
SCHEMBL21336582 0.80 ENPP2 (0.67) ENPP2CA2CA12CA3CA6
SCHEMBL1138626 0.80 ENPP2 (0.53) ENPP2CA2CA12CA3CA6
SCHEMBL29091391 0.78 ENPP2 (0.86) ENPP2CA2CA12CA3CA6
SCHEMBL15333016 0.78 ENPP2 (0.86) ENPP2CA2CA12CA3CA6
SCHEMBL14421551 0.78 ENPP2 (0.64) ENPP2CA2CA12CA3CA6
SCHEMBL1188158 0.77 ENPP2 (0.61) ENPP2CA2CA12CA3CA6
SCHEMBL45942 0.76 CA2 (0.69) ENPP2CA2CA12CA3CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 US disclosed
WO-2010018836-A2 POLYGLUTAMINE AGGREGATION INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 WO disclosed
WO-2010018837-A2 PROTEIN CROSS-LINKING INHIBITOR 独立行政法人科学技術振興機構 (JP) 2010-02-18 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ENPP2 3251/4885CA2 1871/4885CA12 3930/4885

“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.