SCHEMBL331430

SCHEMBL331430

CC(C)(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1Br

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
MEN1 O00255 3/20 0.53
RAB9A P51151 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
TMPRSS4 Q9NRS4 1/20 0.46
GAA P10253 1/20 0.43
SORT1 Q99523 1/20 0.43
PLAU P00749 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLAT P00750 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
ALOX15 P16050 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CES2 O00748 1/20 0.41
GALR3 O60755 1/20 0.41

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
SCHEMBL330403 0.88 TMPRSS4 (0.55) MAPTTMPRSS4GAASORT1PLAU
SCHEMBL330478 0.86 TMPRSS4 (0.43) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL330258 0.86 TMPRSS4 (0.43) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL330465 0.85 TMPRSS4 (0.42) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL330269 0.84 MAPT (0.49) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL330623 0.82 MEN1 (0.39) MAPTMEN1KMT2ATMPRSS4GAA
SCHEMBL329927 0.82 DHODH (0.54) MAPTMEN1RAB9AKMT2AALDH1A1
SCHEMBL330102 0.81 TRPV4 (0.45)
SCHEMBL330057 0.80 LRRK2 (0.48) MAPTALDH1A1HTTTMPRSS4
SCHEMBL330052 0.79 MAPT (0.39) MAPTMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 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 (9 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA MAPT 2581/4885MEN1 4484/4885RAB9A 3691/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 MAPT 2536/4885MEN1 2257/4885RAB9A 2827/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 MAPT 2893/4885MEN1 3560/4885RAB9A 4418/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MAPT 1849/4885MEN1 4495/4885RAB9A 997/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MAPT 2086/4885MEN1 4504/4885RAB9A 1124/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MAPT 2086/4885MEN1 4504/4885RAB9A 1124/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA MAPT 1/4885MEN1 4288/4885RAB9A 3333/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A MAPT 2086/4885MEN1 4504/4885RAB9A 1124/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB MAPT 2435/4885MEN1 4661/4885RAB9A 1966/4885

“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.