Sugi Predict

Sugi Predict / Compounds / SCHEMBL259753

SCHEMBL259753

SCHEMBL259753

O=[N+]([O-])c1ccc(CCNCCO)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.68
▸ KCNH2 Q12809 2/20 0.63
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA4 P22748 1/20 0.56
▸ CHRM2 P08172 1/20 0.54
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ CDC25C P30307 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ CNR1 P21554 1/20 0.49
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL9628053 0.91 KCNH2 (0.73) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL9450937 0.90 TSHR (0.64) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL9060802 0.90 TSHR (0.64) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL9194346 0.89 CHRM2 (0.62) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL3119525 0.84 CHRM2 (0.70) TSHRMEN1KMT2ACA1CA2
SCHEMBL28487383 0.84 MEN1 (0.75) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL9385011 0.83 TSHR (0.64) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL9255201 0.83 KCNH2 (0.63) TSHRKCNH2MEN1KMT2ACA1
Hydrochloric Acid SCHEMBL28638069 0.83 MEN1 (0.73) TSHRKCNH2MEN1KMT2ACA1
SCHEMBL7939602 0.83 KCNH2 (0.63) TSHRKCNH2MEN1KMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3080284-B1 PROCESS FOR THE PREPARATION OF A CHIRAL 2-(4-AMINOPHENYL)MORPHOLINE HOFFMANN LA ROCHE (CH) 2017-10-18 — — EP disclosed
EP-2771005-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-05-18 — — EP disclosed
US-8999990-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-07 — — US disclosed
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-10-02 — — US disclosed
EP-2771005-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-09-03 — — EP disclosed
CN-101987848-B New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing the same SERVIER LAB 2014-06-18 — — CN disclosed
US-8653073-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-02-18 — — US disclosed
US-20130331380-A1 DIHYDROINDOLONE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2013-12-12 — — US disclosed
US-8541412-B2 Dihydroindolone compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-09-24 — — US disclosed
WO-2013062892-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-05-02 — — WO disclosed
WO-2011015728-A1 NOVEL DIHYDROINDOLONE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2011-02-10 — — WO disclosed
EP-2281822-A1 New dihydroindolone derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2011-02-09 — — EP disclosed
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 — — US disclosed
US-6693192-B1 HYPERLIPIDEMIA; ATHEROMATOSIS ELPEN S.A. (GR) 2004-02-17 — — US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 — — US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 — — US disclosed
EP-1140877-A1 HYPOLIPIDEMIC AND ANTIOXIDANT MORPHOLINE DERIVATIVES Elpen S.A. . (GR) 2001-10-10 — — EP disclosed
CN-1299344-A Novel urea derivatives SANTEN PHARCEUMATICAL CO LTD (JP) 2001-06-13 — — CN disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 — — EP disclosed
WO-2000042030-A1 HYPOLIPIDEMIC AND ANTIOXIDANT MORPHOLINE DERIVATIVES ELPEN S.A. (GR) 2000-07-20 — — WO 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 (3 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-20130331380-A1 DIHYDROINDOLONE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP11B1, SDHA, CYP11B2 TSHR 2716/4885KCNH2 2600/4885MEN1 661/4885
US-20020198376-A1 Novel urea derivatives TNF, CTH, CFH TSHR 580/4885KCNH2 1252/4885MEN1 4882/4885
US-20140296225-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 TSHR 1445/4885KCNH2 21/4885MEN1 247/4885

“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.