SCHEMBL10242032

SCHEMBL10242032

Cc1cc(NC(=S)Nc2ccccc2)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.69
CYP2C19 P33261 4/20 0.69
CYP3A4 P08684 3/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
KMT2A Q03164 6/20 0.59
GAA P10253 4/20 0.59
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
LMNA P02545 1/20 0.59
ALDH1A1 P00352 4/20 0.59
TAS2R38 P59533 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPT P10636 4/20 0.53
MEN1 O00255 4/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 1/20 0.53
NPSR1 Q6W5P4 1/20 0.51
ALOX15 P16050 1/20 0.50
PTPN7 P35236 1/20 0.50

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
SCHEMBL10242035 0.83 MAOA (0.59) KMT2AMAOAMAOBLMNAHSD17B10
SCHEMBL4345620 0.79 KMT2A (0.59) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4343605 0.79 KMT2A (0.59) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL8956322 0.79 ALDH1A1 (0.94) CYP1A2CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL11371987 0.78 HPGD (0.54) CYP3A4KMT2AGAALMNAALDH1A1
SCHEMBL5451731 0.77 ALDH1A1 (0.74) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL132620 0.77 ALDH1A1 (1.00) CYP1A2CYP2C19CYP3A4KMT2AGAA
SCHEMBL1882928 0.77 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL11674611 0.77 KMT2A (0.75) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4686246 0.76 HSP90AA1 (0.53) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9

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 25 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-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-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
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 (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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 CYP1A2 631/4885CYP2C19 1303/4885CYP3A4 2062/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1547/4885CYP2C19 1929/4885CYP3A4 1565/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1583/4885CYP2C19 1840/4885CYP3A4 1488/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA CYP1A2 2043/4885CYP2C19 3948/4885CYP3A4 2673/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A CYP1A2 1583/4885CYP2C19 1840/4885CYP3A4 1488/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR CYP1A2 576/4885CYP2C19 1222/4885CYP3A4 2039/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR CYP1A2 589/4885CYP2C19 1171/4885CYP3A4 1960/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA CYP1A2 685/4885CYP2C19 2419/4885CYP3A4 2041/4885

“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.