SCHEMBL330302

SCHEMBL330302

O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc(Br)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.67
ADORA1 P30542 9/20 0.60
ADORA2A P29274 5/20 0.60
SMN1; SMN2 Q16637 6/20 0.57
NPSR1 Q6W5P4 4/20 0.57
HTT P42858 3/20 0.57
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
ADORA2B P29275 2/20 0.55
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.51

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
SCHEMBL3278037 0.90 ADORA3 (0.52) ADORA3ADORA1ADORA2ASMN1; SMN2NPSR1
SCHEMBL330674 0.88 RAB9A (0.64) ADORA3ADORA1ADORA2ASMN1; SMN2NPSR1
SCHEMBL330992 0.87 XIAP (0.56) ADORA3ADORA1ADORA2ASMN1; SMN2NPSR1
SCHEMBL330259 0.84 KMT2A (0.60) SMN1; SMN2NPSR1HTTMAPTLMNA
SCHEMBL329799 0.83 MEN1 (0.64) ADORA1ADORA2ASMN1; SMN2NPSR1HTT
SCHEMBL330636 0.81 PTGDR2 (0.56) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL3276819 0.79 PTGDR2 (0.48) SMN1; SMN2NPSR1MAPTLMNAKMT2A
SCHEMBL330141 0.78 ALDH1A1 (0.50) ADORA1ADORA2ASMN1; SMN2NPSR1MAPT
SCHEMBL3276817 0.78 RAB9A (0.41) ADORA3SMN1; SMN2NPSR1LMNAKMT2A
SCHEMBL27582671 0.77 SCD (0.60) NPSR1HTTMAPTLMNAKMT2A

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 37 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
CN-101849953-B Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2012-04-25 CN 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
CN-101849953-A Inflammatory cytokine release inhibitor INST MED MOLECULAR DESIGN INC 2010-10-06 CN disclosed
CN-1658872-B Antiallergic agent INST MED MOLECULAR DESIGN INC 2010-09-22 CN 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
CN-100506221-C Cancer therapeutic agent INST MED MOLECULAR DESIGN INC (JP) 2009-07-01 CN disclosed
CN-100490793-C Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2009-05-27 CN disclosed
CN-1658856-A Cancer therapeutic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658850-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658857-A NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658854-A Immune related protein kinase inhibitors INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN disclosed
CN-1658858-A Remedies for neurodegenerative diseases INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 CN 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
CN-1489458-A Inflammatory cytokine production dissociation inhibitor ��ʽ����ҽҩ��������о��� 2004-04-14 CN 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 (3 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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ADORA3 3736/4885ADORA1 1882/4885ADORA2A 2401/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ADORA3 3778/4885ADORA1 2004/4885ADORA2A 2328/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB ADORA3 3903/4885ADORA1 1838/4885ADORA2A 1722/4885

“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.