SCHEMBL10242015

SCHEMBL10242015

Cc1nc(-c2ccc(O)c(C)c2)cs1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.78
ALDH1A1 P00352 5/20 0.78
RECQL P46063 4/20 0.78
KDM4E B2RXH2 4/20 0.78
POLB P06746 4/20 0.78
MAPT P10636 4/20 0.78
HPGD P15428 3/20 0.78
ESR2 Q92731 2/20 0.78
GFER P55789 2/20 0.68
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HTT P42858 1/20 0.51
ROCK2 O75116 1/20 0.51
PIM1 P11309 1/20 0.51
GSK3B P49841 1/20 0.51
AURKB Q96GD4 1/20 0.51
PLAU P00749 1/20 0.49

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
SCHEMBL15200211 0.88 GAA (1.00) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL4704845 0.85 LTA4H (0.59) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL1764528 0.84 GAA (0.64) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL14259198 0.80 GAA (0.73) GAAALDH1A1RECQLKDM4EPOLB
Thiourea SCHEMBL6167559 0.80 LTA4H (0.57) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL19419963 0.80 KDM4E (0.76) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL9435249 0.79 MAPT (0.63) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL8256648 0.79 GAA (0.58) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL1434288 0.78 GAA (0.66) GAAALDH1A1RECQLKDM4EPOLB
SCHEMBL24617750 0.78 RAB9A (0.57) GAAALDH1A1RECQLKDM4EPOLB

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-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-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-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-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 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-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 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-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-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 GAA 1625/4885ALDH1A1 364/4885RECQL 1426/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 525/4885ALDH1A1 479/4885RECQL 3908/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885ALDH1A1 563/4885RECQL 3848/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A GAA 618/4885ALDH1A1 563/4885RECQL 3848/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR GAA 1563/4885ALDH1A1 340/4885RECQL 1455/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR GAA 1736/4885ALDH1A1 362/4885RECQL 1518/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA GAA 500/4885ALDH1A1 140/4885RECQL 519/4885

“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.