Sugi Predict

Sugi Predict / Compounds / SCHEMBL4128652

SCHEMBL4128652

SCHEMBL4128652

COc1ccc(ON)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.69
▸ CA2 P00918 4/20 0.69
▸ CA9 Q16790 3/20 0.69
▸ CA7 P43166 2/20 0.69
▸ CA12 O43570 1/20 0.69
▸ CA14 Q9ULX7 1/20 0.69
▸ TDP1 Q9NUW8 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ACHE P22303 1/20 0.55
▸ IDO1 P14902 2/20 0.54
▸ AGXT P21549 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 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
SCHEMBL14845474 0.85 PTGS2 (0.58) CA1CA2CA9CA7CA12
SCHEMBL22651603 0.83 CA1 (0.48) CA1CA2CA9CA7CA12
SCHEMBL2581495 0.83 TDP1 (0.39) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL21802643 0.83 CA1 (1.00) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL8489 0.83 CA1 (1.00) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL30704776 0.79 CA1 (0.92) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL29937047 0.79 CA1 (0.92) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL27892470 0.79 CA1 (0.92) CA1CA2CA9CA7CA12
Hydrochloric Acid SCHEMBL9636444 0.79 ALDH1A1 (0.38) CA1CA2CA9CA7CA12
1,4-Dimethoxybenzene SCHEMBL28282673 0.79 CA1 (0.92) CA1CA2CA9CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287272-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DEVICE DIC CORPORATION (JP) 2023-09-14 — — US disclosed
WO-2022091123-A1 5-HYDROXY-1,4-NAPHTHALENEDIONE FOR USE IN THE TREATMENT OF CANCER GODAVARI BIOREFINERIES LIMITED (IN) 2022-05-05 — — WO disclosed
US-10444243-B2 Encoded chromophoric polymer particles and methods of use thereof UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2019-10-15 — — US disclosed
US-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 — — US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 — — US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 — — WO disclosed
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 — — EP 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-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 CA1 848/4885CA2 99/4885CA9 924/4885

“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.