SCHEMBL332076

SCHEMBL332076

CC(C)(C)c1nc(NC(=O)c2cc(Br)ccc2O)sc1N1CCN(c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.41
LRRK2 Q5S007 1/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
DRD3 P35462 1/20 0.40
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
RIPK1 Q13546 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL330102 0.90 TRPV4 (0.45) TRPV4
SCHEMBL330057 0.89 LRRK2 (0.48) LRRK2MAPTALDH1A1HTT
SCHEMBL330623 0.89 MEN1 (0.39) TRPV4LRRK2MEN1KMT2AMAPT
SCHEMBL330260 0.88 MEN1 (0.38) TRPV4RAB9AMEN1KMT2AMAPT
SCHEMBL330406 0.88 DRD3 (0.45) TRPV4LRRK2RAB9AMEN1KMT2A
SCHEMBL330052 0.86 MAPT (0.39) TRPV4LRRK2MEN1KMT2AMAPT
SCHEMBL331430 0.79 MAPT (0.53) RAB9AMEN1KMT2AMAPTALDH1A1
SCHEMBL3284041 0.76 LRRK2 (0.45) LRRK2MEN1KMT2AMAPTALDH1A1
SCHEMBL330453 0.76 MEN1 (0.46) TRPV4MEN1KMT2AMAPTALDH1A1
SCHEMBL330258 0.75 TMPRSS4 (0.43) RAB9AMEN1KMT2AMAPTALDH1A1

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 TRPV4 3457/4885LRRK2 2317/4885RAB9A 3691/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 TRPV4 1102/4885LRRK2 4237/4885RAB9A 2827/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 TRPV4 3712/4885LRRK2 4327/4885RAB9A 4418/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT TRPV4 1330/4885LRRK2 4236/4885RAB9A 2536/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV4 2705/4885LRRK2 722/4885RAB9A 997/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV4 2649/4885LRRK2 774/4885RAB9A 1124/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV4 2649/4885LRRK2 774/4885RAB9A 1124/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA TRPV4 3581/4885LRRK2 1233/4885RAB9A 3333/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A TRPV4 2649/4885LRRK2 774/4885RAB9A 1124/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 TRPV4 1386/4885LRRK2 2177/4885RAB9A 2290/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR TRPV4 1184/4885LRRK2 4194/4885RAB9A 2704/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR TRPV4 1206/4885LRRK2 4201/4885RAB9A 2770/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB TRPV4 3203/4885LRRK2 1164/4885RAB9A 1966/4885

“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.