SCHEMBL16151506

SCHEMBL16151506

CNCCOB(c1ccc(COc2ccc(B(OCCNC)c3ccc(C(F)(F)F)cc3)cc2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.51
▸ SLC6A5 Q9Y345 2/20 0.43
▸ CACNA1B Q00975 1/20 0.43
▸ FFAR1 O14842 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ AR P10275 1/20 0.40
▸ HMOX1 P09601 1/20 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
SCHEMBL12271043 0.95 MAOB (0.47) MAOBSLC6A5CACNA1BFFAR1PPARG
SCHEMBL12266342 0.84 LYPLA1 (0.50) —
SCHEMBL12266259 0.83 MAOB (0.62) MAOBHMOX1
SCHEMBL13383487 0.82 LYPLA1 (0.55) MAOBSLC6A5CACNA1BFFAR1PPARG
SCHEMBL12270826 0.81 MAOB (0.55) MAOBFFAR1PPARG
SCHEMBL12271226 0.79 LYPLA1 (0.51) MAOBSLC6A5CACNA1BFFAR1PPARG
Hydrochloric Acid SCHEMBL5312904 0.79 MAOB (0.67) MAOBSLC6A5HMOX1
SCHEMBL12270299 0.78 ALDH1A1 (0.40) MAOBFFAR1CARM1
SCHEMBL5539798 0.76 HTR1B (0.58) CACNA1B
Hydrochloric Acid SCHEMBL27174649 0.75 HTR1B (0.56) MAOBCACNA1B

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
EP-1961756-B1 NOVEL BISBORON COMPOUND JAPAN SCIENCE & TECH AGENCY (JP) 2016-04-27 — — EP 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

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 MAOB 627/4885SLC6A5 3774/4885CACNA1B 3390/4885

“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.

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