Sugi Predict

Sugi Predict / Compounds / SCHEMBL5026709

SCHEMBL5026709

SCHEMBL5026709

O=C(O)CCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ MAPT P10636 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 6/20 0.59
▸ HPGD P15428 3/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ GAA P10253 2/20 0.55
▸ LMNA P02545 3/20 0.52
▸ MAPK1 P28482 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ ATM Q13315 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
SCHEMBL4359815 0.88 MAPT (0.63) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4143060 0.85 KAT2B (0.55) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL6198859 0.84 KAT2B (0.80) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL124292 0.83 MEN1 (0.60) KAT2BRAB9AMAPTNPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL6032002 0.83 MEN1 (0.60) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL13728477 0.83 MAPT (0.58) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2977328 0.83 RAB9A (0.65) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2977331 0.83 RAB9A (0.65) KAT2BRAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3670486 0.82 MAPT (0.65) MAPTALDH1A1HPGDKMT2AMEN1
SCHEMBL110446 0.81 KAT2B (0.66) KAT2BRAB9AMAPTNPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020044206-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS FOR USE IN THE TREATMENT CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 — — WO disclosed
US-20180346606-A1 REVERSIBLE PROTEIN MULTIMERS, METHODS FOR THEIR PRODUCTION AND USE LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2018-12-06 — — US disclosed
US-10023657-B2 Reversible protein multimers, methods for their production and use LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2018-07-17 — — US disclosed
US-20130289253-A1 REVERSIBLE PROTEIN MULTIMERS, METHODS FOR THEIR PRODUCTION AND USE LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) 2013-10-31 — — US disclosed
CN-101405000-A 2-imino-benzimidazoles ABBOTT LAB (US) 2009-04-08 — — CN disclosed
EP-1983992-A2 2-IMINO-BENZIMIDAZOLES Abbott Laboratories (US) 2008-10-29 — — EP disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
US-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 — — US disclosed
WO-2007084728-A2 2-IMINO-BENZIMIDAZOLES ABBOTT LABORATORIES (US) 2007-07-26 — — WO disclosed
EP-1208104-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2005-01-19 — — EP disclosed
EP-1208104-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2002-05-29 — — EP disclosed
WO-2001016136-A2 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-03-08 — — WO disclosed
EP-0405442-B1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARM CO LTD (JP) 1996-09-04 — — EP disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 — — EP disclosed
US-5151431-A Diuretics MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-09-29 — — US disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 — — US disclosed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 — — EP disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 — — US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 — — EP disclosed
US-4110337-A ANALGESIC, ANTIINFLAMMATORY LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1978-08-29 — — 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-20180346606-A1 REVERSIBLE PROTEIN MULTIMERS, METHODS FOR THEIR PRODUCTION AND USE CD4, CD74, CD69 KAT2B 3296/4885RAB9A 3844/4885MAPT 2086/4885
US-20130289253-A1 REVERSIBLE PROTEIN MULTIMERS, METHODS FOR THEIR PRODUCTION AND USE CD4, CD74, CD69 KAT2B 3296/4885RAB9A 3844/4885MAPT 2086/4885
US-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 KAT2B 1421/4885RAB9A 1111/4885MAPT 2918/4885
US-10023657-B2 Reversible protein multimers, methods for their production and use CD4, CD74, CD69 KAT2B 3296/4885RAB9A 3844/4885MAPT 2086/4885

“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.