Sugi Predict

Sugi Predict / Compounds / SCHEMBL5100760

SCHEMBL5100760

SCHEMBL5100760

O=[N+]([O-])c1ccc(NCCO)nc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ DPP4 P27487 2/20 0.57
▸ MAPT P10636 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ GAA P10253 3/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ KMT2A Q03164 6/20 0.56
▸ MEN1 O00255 5/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ LMNA P02545 2/20 0.53
▸ HTT P42858 1/20 0.53
▸ ALOX12 P18054 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
SCHEMBL6657510 0.91 SMN1; SMN2 (0.57) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL30014816 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL6162165 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL5650522 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL7363076 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL1146057 0.84 SMN1; SMN2 (0.60) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL4389868 0.83 SMN1; SMN2 (0.59) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL29395449 0.83 POLB (0.63) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL4389872 0.83 SMN1; SMN2 (0.59) SMN1; SMN2POLBDPP4MAPTRAB9A
SCHEMBL13649701 0.83 SMN1; SMN2 (0.58) SMN1; SMN2POLBDPP4MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017024996-A1 HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF 江苏恒瑞医药股份有限公司 2017-02-16 — — WO disclosed
EP-2736900-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 — — EP disclosed
EP-2736882-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2014-06-04 — — EP disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 — — US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 — — US disclosed
US-20130029961-A1 Substituted Heterocyclic Aza Compounds GRUENENTHAL GMBH (DE) 2013-01-31 — — US disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
WO-2013013817-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
WO-2013013817-A1 SUBSTITUTED HETEROCYCLIC AZA DERIVATIVES Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 — — WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 — — EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 — — WO disclosed
EP-0560406-B1 Process for the preparation of 2,5-diamino-6-nitro-pyridine derivatives and new 2,5-diamino-6-nitro-pyridine derivatives WELLA AG (DE) 1997-05-07 — — EP disclosed
EP-0601302-B1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes WELLA AG (DE) 1996-07-10 — — EP disclosed
EP-0601302-A1 Hair dyeing composition containing 3-pyridinazo dyes and novel 3-pyridazo dyes Wella Aktiengesellschaft (DE) 1994-06-15 — — EP disclosed
EP-0560406-A1 Process for the preparation of 2,5-diamino-6-nitro-pyridine derivatives and new 2,5-diamino-6-nitro-pyridine derivatives Wella Aktiengesellschaft (DE) 1993-09-15 — — EP disclosed
US-5145482-A Hair dye compositions based on 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1992-09-08 — — US disclosed
US-4950302-A Process for the production of 2,5-diamino-6-nitro-pyridine derivatives, their use in hair dye compositions and new 2,5-diamino-6-nitropyridine derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-08-21 — — US disclosed
EP-0303878-A2 2,5-diamino-nitro-6-pyridine derivatives containing hair dyeing agents Wella Aktiengesellschaft (DE) 1989-02-22 — — 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-20130029961-A1 Substituted Heterocyclic Aza Compounds TRPV1, GPR17, TRPV2 SMN1; SMN2 1565/4885POLB 3586/4885DPP4 1427/4885

“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.