SCHEMBL3277191

SCHEMBL3277191

O=C(O)c1s[c]nc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
CDC7 O00311 1/20 0.45
DBF4 Q9UBU7 1/20 0.45
LMNA P02545 2/20 0.42
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
NR4A2 P43354 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
LDHA P00338 1/20 0.38
DHODH Q02127 1/20 0.38

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
SCHEMBL330380 0.85 SMN1; SMN2 (0.46) KDM4EALDH1A1SMN1; SMN2GAANPC1
SCHEMBL329727 0.84 ADORA3 (0.49) KDM4EALDH1A1SMN1; SMN2GAANPC1
SCHEMBL8810138 0.81 TRPM8 (0.50) KDM4EALDH1A1SMN1; SMN2GAAHPGD
SCHEMBL330268 0.81 NPSR1 (0.59) KDM4EALDH1A1SMN1; SMN2GAANPC1
SCHEMBL330990 0.79 HPGD (0.55) KDM4EALDH1A1SMN1; SMN2GAANPC1
SCHEMBL330385 0.77 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2NPC1HPGD
SCHEMBL330281 0.77 ADORA3 (0.46) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL3283882 0.75 GAA (0.54) KDM4EALDH1A1SMN1; SMN2GAANPC1
SCHEMBL3284816 0.74 HIF1A (0.50) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL330292 0.73 PTGDR2 (0.55) KDM4EALDH1A1SMN1; SMN2GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US 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
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 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-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

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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA KDM4E 3977/4885ALDH1A1 2096/4885SMN1; SMN2 4106/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 KDM4E 1835/4885ALDH1A1 364/4885SMN1; SMN2 4693/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 KDM4E 2118/4885ALDH1A1 97/4885SMN1; SMN2 4853/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT KDM4E 1633/4885ALDH1A1 296/4885SMN1; SMN2 4704/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA KDM4E 2199/4885ALDH1A1 425/4885SMN1; SMN2 975/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KDM4E 1821/4885ALDH1A1 340/4885SMN1; SMN2 4695/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR KDM4E 1698/4885ALDH1A1 362/4885SMN1; SMN2 4709/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA KDM4E 2305/4885ALDH1A1 140/4885SMN1; SMN2 4614/4885

“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.