SCHEMBL331556

SCHEMBL331556

CC(C)(C)c1nc(N)sc1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
PRKDC P78527 1/20 0.37
PIK3CA P42336 5/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 3/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
MTOR P42345 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34

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
SCHEMBL330360 0.83 ALDH1A1 (0.41) LMNASMN1; SMN2NPC1RAB9ACRHBP
SCHEMBL10242358 0.82 LMNA (0.43) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL330171 0.82 HRH4 (0.44) ALDH1A1HPGD
SCHEMBL330185 0.79 DHFR (0.43) LMNAMAPTNPC1ALOX15GAA
SCHEMBL20365551 0.78 LMNA (0.40) LMNAMAPTSMN1; SMN2RAB9AALOX15
SCHEMBL3382272 0.78 FBP1 (0.45) FBP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL330179 0.69 LMNA (0.40) LMNAMAPTSMN1; SMN2ALOX15PRKDC
SCHEMBL6692832 0.68 AR (0.55) FBP1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL2318723 0.66 NPC1 (0.52) FBP1LMNAMAPTSMN1; SMN2NPC1
SCHEMBL25857702 0.66 KMT2A (0.39) LMNAMAPTSMN1; SMN2GAAHTT

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 27 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-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-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 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 (7 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 FBP1 1192/4885LMNA 953/4885MAPT 2581/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 FBP1 3515/4885LMNA 1236/4885MAPT 2536/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 FBP1 3273/4885LMNA 1058/4885MAPT 2893/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FBP1 2161/4885LMNA 3645/4885MAPT 1849/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A FBP1 2046/4885LMNA 3899/4885MAPT 2086/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR FBP1 3372/4885LMNA 1400/4885MAPT 2469/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB FBP1 2002/4885LMNA 2842/4885MAPT 2435/4885

“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.