Sugi Predict

Sugi Predict / Compounds / SCHEMBL602647

SCHEMBL602647

SCHEMBL602647

CN1CCN(C(=O)c2[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.67
▸ MEN1 O00255 6/20 0.61
▸ KMT2A Q03164 6/20 0.61
▸ HRH4 Q9H3N8 3/20 0.56
▸ FASN P49327 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ NPY1R P25929 1/20 0.50
▸ NPY2R P49146 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PDE4D Q08499 1/20 0.47
▸ TNFSF11 O14788 2/20 0.47
▸ TNF P01375 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ HTT P42858 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
SCHEMBL18092646 0.92 MAPT (0.56) MAPTMEN1KMT2AHRH4FASN
SCHEMBL18092641 0.89 MAPT (0.69) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL18092595 0.89 MAPT (0.63) MAPTMEN1KMT2AHRH4FASN
SCHEMBL3943871 0.88 MAPT (0.67) MAPTMEN1KMT2AFASNALDH1A1
SCHEMBL18092598 0.87 MAP2 (0.53) MAPTMEN1KMT2AHRH4ALDH1A1
SCHEMBL18092665 0.85 MAPT (0.61) MAPTMEN1KMT2AHRH4FASN
SCHEMBL4926701 0.85 KMT2A (0.66) MAPTMEN1KMT2AHRH4FASN
SCHEMBL20609559 0.85 HRH4 (0.49) MAPTMEN1KMT2AHRH4ALDH1A1
SCHEMBL18092617 0.85 HRH4 (0.49) MAPTMEN1KMT2AHRH4ALDH1A1
SCHEMBL12501414 0.84 ALDH1A1 (0.65) MAPTMEN1KMT2AHRH4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10859585-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 — — US disclosed
US-10859585-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 — — US disclosed
US-20190293666-A1 LIPID PROBES AND USES THEREOF SCRIPPS RESEARCH INST (US) 2019-09-26 — — US disclosed
US-20190293666-A1 LIPID PROBES AND USES THEREOF SCRIPPS RESEARCH INST (US) 2019-09-26 — — US disclosed
US-10195195-B2 Selective histamine H4 receptor antagonists for the treatment of vestibular disorders INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2019-02-05 — — US disclosed
US-10168342-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 — — US disclosed
US-10168342-B2 Lipid probes and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 — — US disclosed
EP-3378476-A1 H4 RECEPTOR INHIBITORS FOR TREATING TINNITUS Sensorion (FR) 2018-09-26 — — EP disclosed
EP-3274712-A1 LIPID PROBES AND USES THEREOF The Scripps Research Institute (US) 2018-01-31 — — EP disclosed
US-9688989-B2 H4 receptor inhibitors for treating tinnitus SENSORION (FR) 2017-06-27 — — US disclosed
EP-2010177-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 — — EP disclosed
WO-2007120690-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 — — WO disclosed
CN-1694703-A Use of indolyl derivatives for the manufacture of a medicament for the treatment allergic rhinitis JANSSEN PHARMACEUTICA NV (BE) 2005-11-09 — — CN disclosed
EP-1551406-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIC RHINITIS JANSSEN PHARMACEUTICA N.V. (BE) 2005-07-13 — — EP disclosed
US-20050085487-A1 Heterocyclic compounds CARRUTHERS NICHOLAS I (US) 2005-04-21 — — US disclosed
US-6803362-B2 ANTIHISTAMINES SUCH AS (5-CHLORO-1H-INDOL-2-YL)-(4-METHYL-PIPERAZIN-1-YL)-METHANONE, USED AS ANTIINFLAMMATORY, ANTIARTHRITIC OR BRONCHODILATOR AGENTS AND/OR IMMUNOLOGY MODULATORS ORTHO-MCNEIL PHARMACEUTICAL INC. 2004-10-12 — — US disclosed
WO-2004022061-A1 USE OF INDOLYL DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT ALLERGIC RHINITIS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-03-18 — — WO disclosed
EP-1373204-A2 HETEROCYCLIC COMPOUNDS Ortho-McNeil Pharmaceutical, Inc. (US) 2004-01-02 — — EP disclosed
US-20030207893-A1 Heterocyclic compounds ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-11-06 — — US disclosed
WO-2002072548-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS HISTAMINE H4 LIGANDS. ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-09-19 — — 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 (2 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-20050085487-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 MAPT 3679/4885MEN1 745/4885KMT2A 1652/4885
US-20030207893-A1 Heterocyclic compounds AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1 MAPT 3677/4885MEN1 749/4885KMT2A 1661/4885

“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.