Sugi Predict

Sugi Predict / Compounds / SCHEMBL3605101

SCHEMBL3605101

SCHEMBL3605101

Nc1c(Cl)cc(Cl)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.54
▸ CA2 P00918 5/20 0.54
▸ CA9 Q16790 4/20 0.54
▸ ALDH1A1 P00352 5/20 0.43
▸ CYP3A4 P08684 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ RECQL P46063 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA3 P07451 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ AHR P35869 1/20 0.33

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
SCHEMBL31050390 1.00 CA1 (0.54) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL1639812 0.86 GAA (0.58) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL657760 0.80 ALDH1A1 (0.65) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL205669 0.79 GAA (0.43) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL31424216 0.79 CA1 (0.54) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL9772902 0.79 CA1 (0.54) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL525650 0.79 CYP3A4 (0.65) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL6217810 0.79 CA1 (0.54) CA1CA2CA9ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11784583 0.77 ALDH1A1 (0.61) CA1CA2CA9ALDH1A1CYP3A4
SCHEMBL2427550 0.75 CYP3A4 (0.40) CA1CA2CA9ALDH1A1CYP3A4

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3870287-B1 BIARYL DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2026-01-14 — — EP disclosed
EP-3210969-B1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO (JP) 2021-04-28 — — EP disclosed
CN-107108485-B KCNQ 2-5 channel activator 小野药品工业株式会社 2020-06-12 — — CN disclosed
US-10676438-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2020-06-09 — — US disclosed
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 — — US disclosed
US-10570093-B2 — — 2020-02-25 — — US disclosed
US-10196358-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-05 — — US disclosed
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2018-12-06 — — US disclosed
US-20170334855-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-23 — — US disclosed
US-9809544-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-07 — — US disclosed
EP-0457182-B1 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor BOEHRINGER MANNHEIM GMBH (DE) 1997-02-26 — — EP disclosed
EP-0457182-A2 Method having increased sensitivity, for the determination of an ion, the use of suitable substances and corresponding means therefor Roche Diagnostics GmbH (DE) 1991-11-21 — — EP disclosed
CN-87102669-A Fiberboard and manufacture method thereof — 1987-12-30 — — CN disclosed
EP-0046859-B1 PROCESS FOR THE PREPARATION OF 1-BROMO-3,5-DICHLOROBENZENE BASF Aktiengesellschaft (DE) 1983-07-06 — — EP disclosed
EP-0046859-A1 Process for the preparation of 1-bromo-3,5-dichlorobenzene BASF Aktiengesellschaft (DE) 1982-03-10 — — EP disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 — — US disclosed
US-4105655-A PHENYL-AZO-ANILINO DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 — — US disclosed
US-4083844-A Phenylazo orthocyano phenylazo or orthocyano phenylazo phenylazo containing dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1978-04-11 — — US disclosed
US-3978040-A Process for the preparation of cyanoazo compounds by reacting halogenoazo compounds with CuCN in an aqueous media in the presence of a nitrogen base BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3962209-A PROCESS FOR PREPARING AZO DYESTUFFS WITH ORTHO-AZO CYANO GROUPS BY CYANO EXCHANGE OF METAL CYANIDES AND HALO DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-06-08 — — 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 (6 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-10570093-B2 — KCNQ5, KCNQ2, KCNQ1 CA1 2770/4885CA2 709/4885CA9 4254/4885
US-20170334855-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 CA1 3050/4885CA2 564/4885CA9 4491/4885
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 CA1 3050/4885CA2 564/4885CA9 4491/4885
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 CA1 3050/4885CA2 564/4885CA9 4491/4885
US-10676438-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 CA1 3050/4885CA2 564/4885CA9 4491/4885
US-10196358-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 CA1 3050/4885CA2 564/4885CA9 4491/4885

“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.