Sugi Predict

Sugi Predict / Compounds / SCHEMBL165798

SCHEMBL165798

SCHEMBL165798

O=[N+]([O-])c1cc(F)cc2[nH]ncc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 3/20 0.57
▸ PIM3 Q86V86 5/20 0.50
▸ PIM1 P11309 2/20 0.47
▸ METAP2 P50579 1/20 0.46
▸ TDO2 P48775 8/20 0.42
▸ IDO1 P14902 5/20 0.42
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MET P08581 1/20 0.40

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
SCHEMBL4787604 0.80 NOS1 (0.57) NOS1PIM3PIM1TDO2IDO1
SCHEMBL1250107 0.80 NOS1 (0.57) NOS1PIM3PIM1METAP2TDO2
SCHEMBL4400129 0.80 NOS1 (0.57) NOS1PIM3PIM1METAP2TDO2
SCHEMBL27228055 0.80 NOS1 (0.57) NOS1PIM3PIM1METAP2TDO2
SCHEMBL28666076 0.80 TDO2 (0.59) NOS1METAP2TDO2IDO1MAPT
SCHEMBL28195400 0.79 NOS1 (0.49) NOS1PIM3PIM1TDO2IDO1
SCHEMBL17349025 0.78 NOS1 (0.54) NOS1PIM3PIM1TDO2IDO1
SCHEMBL26938389 0.76 NOS1 (0.53) NOS1PIM3PIM1TDO2IDO1
SCHEMBL14718665 0.76 PIM3 (0.50) NOS1PIM3PIM1TDO2IDO1
SCHEMBL27228483 0.76 NOS1 (0.53) NOS1PIM3PIM1METAP2TDO2

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
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. 2024-05-30 — — US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
EP-2874621-B1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2019-11-06 — — EP disclosed
EP-2799431-B1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2018-01-24 — — EP disclosed
US-9511052-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-12-06 — — US disclosed
US-9511052-B2 Mineralocorticoid receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-12-06 — — US disclosed
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-07-02 — — US disclosed
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-07-02 — — US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
US-9051310-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2015-06-09 — — US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 — — US disclosed
US-8362241-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2013-01-29 — — US disclosed
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 — — EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 — — US disclosed
CN-102548984-A Inhibitors of PI3 kinase and / or MTOR AMGEN INC 2012-07-04 — — CN disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 — — EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 — — US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 — — WO disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 — — WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 — — 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 (5 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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD NOS1 3357/4885PIM3 265/4885PIM1 232/4885
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 NOS1 4394/4885PIM3 1132/4885PIM1 1292/4885
US-20150182503-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, REN NOS1 2066/4885PIM3 4201/4885PIM1 3828/4885
US-20240174647-A1 KINASE MODULATORS AND METHODS OF USE THEREOF LRRK2, MAP3K20, MAP3K5 NOS1 4272/4885PIM3 498/4885PIM1 537/4885
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR MTOR, PIK3CA, PIK3CD NOS1 3357/4885PIM3 265/4885PIM1 232/4885

“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.