Sugi Predict

Sugi Predict / Compounds / SCHEMBL1245804

SCHEMBL1245804

SCHEMBL1245804

CC(=Cc1ccc(Cl)cc1)[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 9/20 0.67
▸ CYP2C9 P11712 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ JAK2 O60674 1/20 0.64
▸ MITF O75030 1/20 0.64
▸ CYP1A2 P05177 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ NTSR1 P30989 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ ABL1 P00519 1/20 0.59
▸ EGFR P00533 1/20 0.59
▸ ABL2 P42684 1/20 0.59
▸ TRPA1 O75762 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45

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
SCHEMBL15510679 1.00 FBP1 (0.67) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL1245803 1.00 FBP1 (0.67) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6790902 0.95 FBP1 (0.61) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL6790906 0.95 FBP1 (0.61) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9269719 0.90 FBP1 (0.56) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL9269717 0.90 FBP1 (0.56) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL11215147 0.83 MAOB (0.55) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL11215148 0.83 MAOB (0.55) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL10664676 0.82 FBP1 (0.69) FBP1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL2746675 0.82 FBP1 (0.69) FBP1CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116284019-B Preparation method of medical intermediate furo [3,2-c ] pyridine-4 (5H) -ketone derivative 安徽工业大学 2024-08-09 — — CN disclosed
CN-116284019-A Preparation method of medical intermediate furo [3,2-c ] pyridine-4 (5H) -ketone derivative 安徽工业大学 2023-06-23 — — CN disclosed
EP-3083597-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES AS CAV2.2 CALCIUM CHANNEL BLOCKERS GRUENENTHAL GMBH (DE) 2017-11-22 — — EP disclosed
US-9802921-B2 Fluoromethyl-substituted pyrrole carboxamides iv GRUENENTHAL GMBH (DE) 2017-10-31 — — US disclosed
EP-2906534-B1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2016-12-07 — — EP disclosed
EP-3083613-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV Grünenthal GmbH (DE) 2016-10-26 — — EP disclosed
EP-3083597-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2016-10-26 — — EP disclosed
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV GRUENENTHAL GMBH (DE) 2016-10-13 — — US disclosed
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III GRUENENTHAL GMBH (DE) 2016-10-06 — — US disclosed
US-9302988-B2 Fluoromethyl-substituted pyrrole carboxamides Grünenthal GmbH (DE) 2016-04-05 — — US disclosed
WO-2015090603-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
WO-2015090599-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV Grünenthal GmbH (DE) 2015-06-25 — — WO disclosed
WO-2014032801-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES Grünenthal GmbH (DE) 2014-03-06 — — WO disclosed
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES GRUENENTHAL GMBH (DE) 2014-03-06 — — US disclosed
US-8071782-B2 Synthesis of 1,3,4-trisubstituted and 1,3,4,5-tetrasubstituted pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2011-12-06 — — US disclosed
US-7947849-B2 UV-absorbers for ophthalmic lens materials ALCON, INC. (CH) 2011-05-24 — — US disclosed
US-20110046259-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2011-02-24 — — US disclosed
US-7884228-B1 intraocular lens comprising 2-(2-methoxy-4-(2-nitroprop-1-enyl)phenoxy)ethyl methacrylate monomeric ultraviolet light absorber; particularly useful in implantable lenses, such as intraocular lenses; copolymerizable ALCON, INC. (CH) 2011-02-08 — — US disclosed
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles JANSSEN PHARMACEUTICA NV (BE) 2009-04-09 — — US disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 — — 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-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A FBP1 3099/4885CYP2C9 1229/4885ALDH1A1 1022/4885
US-20160289186-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES III TRPV1, CACNA1B, CACNA1I FBP1 931/4885CYP2C9 2277/4885ALDH1A1 3580/4885
US-20140066426-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES TRPV1, CACNA1B, CACNA1G FBP1 916/4885CYP2C9 2066/4885ALDH1A1 3161/4885
US-20160297803-A1 FLUOROMETHYL-SUBSTITUTED PYRROLE CARBOXAMIDES IV TRPV1, CACNA1B, CACNA1I FBP1 1048/4885CYP2C9 1767/4885ALDH1A1 3324/4885
US-20090093637-A1 Synthesis of 1,3,4-Trisubstituted and 1,3,4,5-Tetrasubstituted Pyrazoles CYP3A4, CYP4B1, CYP2E1 FBP1 968/4885CYP2C9 79/4885ALDH1A1 798/4885

“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.