SCHEMBL330406

SCHEMBL330406

CC(=O)Oc1ccc(Br)cc1C(=O)Nc1nc(C(C)(C)C)c(N2CCN(c3ccccc3)CC2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 5/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
TRPV4 Q9HBA0 3/20 0.39
LRRK2 Q5S007 1/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
RIPK1 Q13546 1/20 0.38
NPSR1 Q6W5P4 4/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3284041 0.90 LRRK2 (0.45) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL330453 0.89 MEN1 (0.46) MEN1KMT2AMAPTMAPK1HPGD
SCHEMBL332076 0.88 TRPV4 (0.41) DRD3MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL331551 0.82 TRPV4 (0.47) DRD3MEN1KMT2AMAPTMAPK1
SCHEMBL330269 0.80 MAPT (0.49) DRD3MEN1KMT2AMAPTMAPK1
SCHEMBL330102 0.77 TRPV4 (0.45) TRPV4
SCHEMBL330260 0.77 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1TRPV4
SCHEMBL330057 0.77 LRRK2 (0.48) MAPTALDH1A1KDM4ELRRK2HTT
SCHEMBL330623 0.76 MEN1 (0.39) MEN1KMT2AMAPTSMN1; SMN2TRPV4
SCHEMBL5060488 0.75 ADORA2A (0.37) MEN1KMT2AMAPTMAPK1LRRK2

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-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS 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-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES 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 DRD3 4733/4885MEN1 4484/4885KMT2A 3909/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 DRD3 1234/4885MEN1 2257/4885KMT2A 302/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 DRD3 4712/4885MEN1 3560/4885KMT2A 1205/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DRD3 4373/4885MEN1 4495/4885KMT2A 4486/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DRD3 4475/4885MEN1 4504/4885KMT2A 4531/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DRD3 4475/4885MEN1 4504/4885KMT2A 4531/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA DRD3 3276/4885MEN1 4288/4885KMT2A 1392/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A DRD3 4475/4885MEN1 4504/4885KMT2A 4531/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB DRD3 4535/4885MEN1 4661/4885KMT2A 4095/4885

“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.