SCHEMBL330644

SCHEMBL330644

[c]1nc(Cc2ccccc2)c(-c2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 2/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2090656 0.77 CALM1 (0.42) CALM1CYP2C9CYP1A2CYP3A4CYP2D6
SCHEMBL557935 0.71 LTA4H (0.43) CALM1ALDH1A1MEN1LMNAGAA
SCHEMBL3185311 0.70 CALM1 (0.39) CALM1ALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL330399 0.70 ALDH1A1 (0.44) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8559345 0.69 TAAR1 (0.37) CALM1CYP2D6ALDH1A1RAB9ASMN1; SMN2
SCHEMBL557949 0.68 KDM4E (0.36) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL15090698 0.68 ALOX5 (0.36) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL468174 0.68 ALOX5 (0.41) CYP1A2CYP2D6CYP2C19ALDH1A1RAB9A
SCHEMBL330598 0.68 ALDH1A1 (0.56) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10242382 0.68 ALOX5 (0.54) CYP2C9CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP 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-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-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
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 (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 CALM1 1657/4885CYP2C9 4462/4885CYP1A2 3812/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CALM1 1606/4885CYP2C9 2082/4885CYP1A2 1547/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CALM1 1806/4885CYP2C9 2035/4885CYP1A2 1583/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CALM1 1806/4885CYP2C9 2035/4885CYP1A2 1583/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA CALM1 296/4885CYP2C9 3673/4885CYP1A2 2043/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CALM1 1806/4885CYP2C9 2035/4885CYP1A2 1583/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA CALM1 3029/4885CYP2C9 2743/4885CYP1A2 685/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB CALM1 1087/4885CYP2C9 2889/4885CYP1A2 1483/4885

“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.