SCHEMBL2408409

SCHEMBL2408409

N#Cc1ccc(B(OCc2ccccn2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
FFAR1 O14842 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
GRM5 P41594 1/20 0.38
CHEK1 O14757 1/20 0.38
CYP19A1 P11511 3/20 0.38
PARP10 Q53GL7 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
SCN9A Q15858 1/20 0.36
ENPP2 Q13822 1/20 0.36
KDM1A O60341 1/20 0.36
CYP1A2 P05177 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
SCHEMBL12270619 0.90 CYP11B1 (0.37) CYP11B1CYP11B2FFAR1MAOBKDM4E
SCHEMBL1187407 0.80 RAB9A (0.45) KDM4EALDH1A1SMN1; SMN2ABCB1MAPT
SCHEMBL1186729 0.80 SMN1; SMN2 (0.49) KDM4EALDH1A1SMN1; SMN2MAPTCYP1A2
SCHEMBL30689371 0.80 KDM4E (0.59) CYP11B1CYP11B2FFAR1MAOBKDM4E
SCHEMBL1680670 0.80 KDM4E (0.59) CYP11B1CYP11B2FFAR1MAOBKDM4E
SCHEMBL12266351 0.78 SYK (0.50) ALDH1A1SMN1; SMN2ABCB1LMNAMAPT
SCHEMBL12318716 0.78 NPC1 (0.46) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL12266348 0.77 ALDH1A1 (0.47) MAOBKDM4EALDH1A1SMN1; SMN2PARP10
SCHEMBL2411928 0.77 LYPLA1 (0.52) MAOBKDM4EALDH1A1SMN1; SMN2ABCB1
SCHEMBL28418292 0.76 MAOB (0.50) CYP11B1CYP11B2FFAR1MAOBKDM4E

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 CYP11B1 3464/4885CYP11B2 4145/4885FFAR1 4860/4885

“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.