SCHEMBL14761843

SCHEMBL14761843

N#Cc1ccc([B-](F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CA6 P23280 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ CA14 Q9ULX7 1/20 0.46
▸ TSHR P16473 1/20 0.43
▸ KIF11 P52732 2/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ MMP3 P08254 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ MAOA P21397 3/20 0.38
▸ MAOB P27338 3/20 0.38
▸ CA1 P00915 2/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37

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
Potassium Ion SCHEMBL15920702 0.97 CA2 (0.44) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL2399806 0.78 CA2 (0.50) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL45942 0.76 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28189314 0.76 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28254092 0.76 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL2503454 0.76 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Fluoride SCHEMBL28187921 0.73 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27949151 0.73 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL28829194 0.73 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL28212763 0.73 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2022-06-02 — — US disclosed
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN LA ROCHE (US) 2021-09-09 — — US disclosed
EP-3826679-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS F. Hoffmann-La Roche AG (CH) 2021-06-02 — — EP disclosed
WO-2020205765-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-10-08 — — WO disclosed
US-20200085810-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS HOFFMANN-LA ROCHE INC. 2020-03-19 — — US disclosed
WO-2020021097-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2020-01-30 — — WO disclosed
EP-2755953-A1 3 -PYRIDINE CARBOXYLIC ACID HYDRAZIDES AS HDL-CHOLESTEROL RAISING AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-23 — — EP disclosed
US-8648099-B2 3-pyridine carboxylic acid hydrazides HOFFMANN-LA ROCHE INC. (US) 2014-02-11 — — US disclosed
WO-2013037703-A1 3 -PYRIDINE CARBOXYLIC ACID HYDRAZIDES AS HDL-CHOLESTEROL RAISING AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-21 — — WO disclosed
US-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES F. HOFFMANN-LA ROCHE AG (CH) 2013-03-14 — — 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 (4 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-20130065876-A1 3-PYRIDINE CARBOXYLIC ACID HYDRAZIDES HMGCR, HCAR3, HCAR1 CA2 688/4885CYP2A6 269/4885ALDH1A1 172/4885
US-20220169607-A1 CARBAZOLE AND ACRIDINE PHOTOREDOX CATALYSTS FOR SMALL MOLECULE AND MACROMOLECULAR TRANSFORMATIONS PCNA, PPOX, PARP1 CA2 3220/4885CYP2A6 3241/4885ALDH1A1 1668/4885
US-20210275514-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, PLAAT2 CA2 3715/4885CYP2A6 2367/4885ALDH1A1 2705/4885
US-20200085810-A1 COMPOUNDS FOR USE IN TREATING KIDNEY DISORDERS GLS, ATP6V1B1, PLAAT2 CA2 3715/4885CYP2A6 2367/4885ALDH1A1 2705/4885

“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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