SCHEMBL330636

SCHEMBL330636

O=C(O)Cc1sc(NC(=O)c2cc(Br)ccc2O)nc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.56
MAPT P10636 6/20 0.55
GAA P10253 5/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TP53 P04637 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
PLTP P55058 2/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3276819 0.92 PTGDR2 (0.48) PTGDR2MAPTGAASMN1; SMN2MEN1
SCHEMBL330141 0.90 ALDH1A1 (0.50) PTGDR2MAPTGAASMN1; SMN2KDM4E
SCHEMBL330992 0.84 XIAP (0.56) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3278037 0.84 ADORA3 (0.52) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL330259 0.84 KMT2A (0.60) MAPTSMN1; SMN2KDM4EPOLBMEN1
SCHEMBL330674 0.82 RAB9A (0.64) SMN1; SMN2KDM4EMEN1KMT2ARXFP1
SCHEMBL330302 0.81 ADORA3 (0.67) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL329799 0.79 MEN1 (0.64) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3276817 0.78 RAB9A (0.41) SMN1; SMN2MEN1KMT2ARXFP1ALDH1A1
SCHEMBL330837 0.77 XIAP (0.43) MEN1KMT2ARXFP1

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 28 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
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
CN-1658850-A Therapeutic agent for diabetes 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-1658854-A Immune related protein kinase inhibitors 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
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 (8 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-20060122243-A1 Antiallergic EPX, NAT1, HNMT PTGDR2 689/4885MAPT 2797/4885GAA 1436/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A PTGDR2 2583/4885MAPT 1849/4885GAA 525/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A PTGDR2 2412/4885MAPT 2086/4885GAA 618/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A PTGDR2 2412/4885MAPT 2086/4885GAA 618/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A PTGDR2 2412/4885MAPT 2086/4885GAA 618/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 PTGDR2 3946/4885MAPT 3490/4885GAA 1702/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR PTGDR2 575/4885MAPT 2415/4885GAA 1736/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB PTGDR2 1490/4885MAPT 2435/4885GAA 954/4885

“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.