SCHEMBL3278381

SCHEMBL3278381

CC(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 3/20 0.47
▸ KMT2A Q03164 6/20 0.42
▸ MEN1 O00255 5/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SORT1 Q99523 1/20 0.41
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL330992 0.84 XIAP (0.56) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL330837 0.83 XIAP (0.43) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL332059 0.81 TMPRSS4 (0.49) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL330487 0.80 MEN1 (0.46) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL330671 0.80 PLTP (0.41) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL330259 0.79 KMT2A (0.60) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL330674 0.77 RAB9A (0.64) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL3278037 0.77 ADORA3 (0.52) XIAPKMT2AMEN1NPC1RAB9A
SCHEMBL331142 0.75 MAPT (0.48) KMT2AMEN1NPC1RAB9ARXFP1
SCHEMBL330302 0.74 ADORA3 (0.67) KMT2AMEN1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-100464742-C NF-kB activation inhibitor INST MED MOLECULAR DESIGN INC (JP) 2009-03-04 — — CN disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 — — 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
CN-100379410-C Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-04-09 — — CN disclosed
CN-101103977-A Therapeutic agent for diabetes INST MED MOLECULAR DESIGN INC (JP) 2008-01-16 — — CN 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
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 — — US disclosed
CN-1658849-A Inhibitors of AP-1 and NFAT activation 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
CN-1658854-A Immune related protein kinase inhibitors 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-1658872-A Antiallergic agent INST MED MOLECULAR DESIGN INC (JP) 2005-08-24 — — CN disclosed
CN-1658856-A Cancer therapeutic 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 XIAP 244/4885KMT2A 3909/4885MEN1 4484/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 XIAP 1760/4885KMT2A 302/4885MEN1 2257/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 XIAP 1239/4885KMT2A 1205/4885MEN1 3560/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT XIAP 1624/4885KMT2A 283/4885MEN1 2381/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA XIAP 1517/4885KMT2A 1392/4885MEN1 4288/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 XIAP 1578/4885KMT2A 2393/4885MEN1 4737/4885

“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.

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