SCHEMBL330019

SCHEMBL330019

COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(Cl)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.64
P2RX1 P51575 3/20 0.60
TMPRSS4 Q9NRS4 5/20 0.58
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HIF1A Q16665 1/20 0.55
POLB P06746 1/20 0.53
METAP2 P50579 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL1705465 0.89 TMPRSS4 (0.74) KCNMA1P2RX1TMPRSS4KDM4EALDH1A1
SCHEMBL330440 0.87 HTT (0.56) KCNMA1P2RX1TMPRSS4ALDH1A1POLB
SCHEMBL329943 0.86 KCNMA1 (0.55) KCNMA1ALDH1A1POLBMETAP2CYP1A2
SCHEMBL330902 0.84 TMPRSS4 (0.70) KCNMA1P2RX1TMPRSS4HTTMEN1
SCHEMBL14363387 0.81 KCNMA1 (0.75) KCNMA1P2RX1TMPRSS4KDM4EALDH1A1
SCHEMBL13812647 0.81 P2RX1 (0.53) KCNMA1P2RX1TMPRSS4KDM4EALDH1A1
SCHEMBL13928800 0.81 KCNMA1 (0.72) KCNMA1P2RX1TMPRSS4KDM4EALDH1A1
SCHEMBL12368183 0.81 MEN1 (0.64) KDM4EALDH1A1POLBCYP1A2CYP3A4
SCHEMBL14113119 0.80 TMPRSS4 (0.60) KCNMA1P2RX1TMPRSS4KDM4EALDH1A1
SCHEMBL330588 0.80 ACLY (0.74) KCNMA1P2RX1TMPRSS4KDM4EALDH1A1

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 19 patents. 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-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-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 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
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-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US 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 (13 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 KCNMA1 3127/4885P2RX1 4560/4885TMPRSS4 2764/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 KCNMA1 201/4885P2RX1 2484/4885TMPRSS4 4322/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 KCNMA1 2192/4885P2RX1 4850/4885TMPRSS4 3353/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT KCNMA1 197/4885P2RX1 2927/4885TMPRSS4 4304/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3082/4885P2RX1 1459/4885TMPRSS4 1813/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA KCNMA1 1120/4885P2RX1 4680/4885TMPRSS4 4257/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A KCNMA1 3380/4885P2RX1 1538/4885TMPRSS4 1647/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 KCNMA1 1584/4885P2RX1 3156/4885TMPRSS4 3386/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR KCNMA1 201/4885P2RX1 2425/4885TMPRSS4 4402/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR KCNMA1 190/4885P2RX1 2389/4885TMPRSS4 4368/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB KCNMA1 2705/4885P2RX1 2316/4885TMPRSS4 3292/4885

“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.