SCHEMBL330505

SCHEMBL330505

CCc1ccccc1NC(=O)c1cc(Br)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ MAPT P10636 6/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ POLB P06746 3/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ HTT P42858 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ GAA P10253 3/20 0.49
▸ HPGD P15428 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ RAB9A P51151 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RORC P51449 1/20 0.48
▸ RECQL P46063 2/20 0.48

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
SCHEMBL12368206 0.84 NPC1 (0.67) MAPTKMT2AKDM4EPOLBNPSR1
SCHEMBL129969 0.82 LMNA (0.69) ARAKR1C3MAPTKMT2AKDM4E
SCHEMBL4344189 0.80 AR (0.64) ARAKR1C3MAPTKMT2AKDM4E
SCHEMBL12368204 0.80 MAPT (0.76) ARMAPTKMT2AKDM4EPOLB
SCHEMBL7943952 0.79 KCNMA1 (0.60) MAPTKMT2AKDM4EPOLBMEN1
SCHEMBL30343477 0.76 TMPRSS4 (0.67) KMT2AKDM4EPOLBMEN1HTT
SCHEMBL330113 0.76 TMPRSS4 (0.67) KMT2AKDM4EPOLBMEN1HTT
SCHEMBL24460251 0.76 LMNA (0.52) ARAKR1C3KMT2AKDM4EMEN1
SCHEMBL12368207 0.75 MAPT (0.59) MAPTKMT2AKDM4EPOLBNPSR1
SCHEMBL13753904 0.74 KDM4E (0.62) MAPTKMT2AKDM4EPOLBMEN1

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 16 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-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 — — 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-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 (10 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 AR 79/4885AKR1C3 1139/4885MAPT 2536/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT AR 114/4885AKR1C3 1241/4885MAPT 2797/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A AR 1100/4885AKR1C3 1692/4885MAPT 1849/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A AR 1235/4885AKR1C3 1606/4885MAPT 2086/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A AR 1235/4885AKR1C3 1606/4885MAPT 2086/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A AR 1235/4885AKR1C3 1606/4885MAPT 2086/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 AR 662/4885AKR1C3 2275/4885MAPT 3490/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR AR 86/4885AKR1C3 1122/4885MAPT 2469/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR AR 78/4885AKR1C3 1112/4885MAPT 2415/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB AR 1698/4885AKR1C3 1916/4885MAPT 2435/4885

“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.

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