SCHEMBL3979428

SCHEMBL3979428

N#Cc1ccc(-c2cc3ccccc3o2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.63
MAOB P27338 5/20 0.62
AR P10275 2/20 0.55
ALOX5 P09917 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CYP2A6 P11509 1/20 0.53
MAOA P21397 3/20 0.50
PGR P06401 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
NPY1R P25929 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
KMT2A Q03164 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL11486638 0.91 TNKS (0.55) TNKSMAOBARALOX5CA1
SCHEMBL11486644 0.91 TNKS (0.55) TNKSMAOBARALOX5CA1
SCHEMBL4659168 0.83 MAOB (0.78) MAOBALOX5CA1CA2CA9
SCHEMBL3537582 0.81 MAOB (0.58) TNKSMAOBARCYP2A6MAOA
SCHEMBL8187479 0.80 TNKS (0.63) TNKSARCA1CA2CA9
SCHEMBL5768216 0.80 MAOB (0.72) TNKSMAOBARALOX5CA1
SCHEMBL31105656 0.79 MAOB (0.71) TNKSMAOBARALOX5CA1
SCHEMBL731363 0.79 MAOB (0.71) TNKSMAOBARALOX5CA1
SCHEMBL11500108 0.78 MAOB (0.43) TNKSMAOBARALOX5CA1
SCHEMBL11500109 0.78 MAOB (0.43) TNKSMAOBARALOX5CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME KOBELCO ECO-SOLUTIONS CO., LTD. (JP) 2021-03-11 US disclosed
EP-3741764-A1 SYNTHESIS METHOD FOR BORONIC ACID ESTER COMPOUND, AND SODIUM SALT OF BORONIC ACID ESTER COMPOUND AND SYNTHESIS METHOD THEREFOR Kobelco Eco-Solutions Co., Ltd (JP) 2020-11-25 EP disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
US-7473786-B1 Methods and systems for preparing fused heterocyclic compounds using copper(I) catalysts UNIVERSITY OF MASSACHUSETTS (US) 2009-01-06 US disclosed
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
US-4039555-A Benzofuran derivatives, process for preparing them and their use as optical brighteners HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed
US-3931215-A OPTICAL BRIGHTENERS HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-06 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-20210070782-A1 METHOD FOR SYNTHESIZING BORONATE ESTER COMPOUND, SODIUM SALT OF BORONATE ESTER COMPOUND, AND METHOD FOR SYNTHESIZING THE SAME BRSK1, BRSK2, BRI3BP TNKS 3192/4885MAOB 1343/4885AR 2249/4885

“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.