SCHEMBL330110

SCHEMBL330110

FC(F)(F)c1c[c]c(N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
AKR1C3 P42330 1/20 0.43
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CNR2 P34972 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
STAT3 P40763 1/20 0.38
TSHR P16473 1/20 0.37
AR P10275 1/20 0.36

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
SCHEMBL330029 0.84 ALDH1A1 (0.43) LMNAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2748410 0.83 ALDH1A1 (0.46) LMNAALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2747794 0.80 POLB (0.40) ALDH1A1KDM4E
SCHEMBL2747882 0.78 KDM4E (0.32) ALDH1A1KDM4E
SCHEMBL28527744 0.78 IDH2 (0.40) LMNAALDH1A1KDM4EMAPTTSHR
SCHEMBL2747783 0.78 LMNA (0.40) LMNAALDH1A1KDM4ECNR2SMN1; SMN2
SCHEMBL3277487 0.78 SCN10A (0.37) LMNAALDH1A1KDM4EMAPT
SCHEMBL3572619 0.77 MAPT (0.40) LMNAALDH1A1KDM4EAKR1C3NPC1
SCHEMBL2203983 0.74 AKR1C3 (0.68) LMNAALDH1A1KDM4EAKR1C3HIF1A
SCHEMBL358797 0.74 SMN1; SMN2 (0.41) LMNAALDH1A1KDM4EAKR1C3NPC1

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844766-B1 Inhibitors against the production and release of inflammatory cytokines INST MED MOLECULAR DESIGN INC (JP) 2012-04-18 EP claimed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US claimed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US claimed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US claimed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US claimed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US claimed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US claimed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP claimed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP claimed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US claimed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US claimed
EP-1649852-A1 CHROMATOSIS REMEDIES Institute of Medicinal Molecular Design, Inc. (JP) 2006-04-26 EP claimed
CN-106470973-B Small molecule L FA-1 inhibitor 阿罗赛特制药公司 2020-08-04 CN disclosed
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-08-30 US disclosed
EP-3337809-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
WO-2017029289-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2017-02-23 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP 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
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO 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 (9 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 LMNA 953/4885ALDH1A1 2096/4885KDM4E 3977/4885
US-20180244699-A1 1-HYDROXY-3H-2,1-BENZOXABOROLE DERIVATIVES AND THEIR USE AS MICROBIOCIDES CBR3, HCRTR2, HCAR3 LMNA 4316/4885ALDH1A1 1144/4885KDM4E 2885/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LMNA 3899/4885ALDH1A1 563/4885KDM4E 3953/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LMNA 3899/4885ALDH1A1 563/4885KDM4E 3953/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA LMNA 670/4885ALDH1A1 425/4885KDM4E 2199/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A LMNA 3899/4885ALDH1A1 563/4885KDM4E 3953/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR LMNA 1400/4885ALDH1A1 340/4885KDM4E 1821/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA LMNA 734/4885ALDH1A1 140/4885KDM4E 2305/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB LMNA 2842/4885ALDH1A1 1025/4885KDM4E 3631/4885

“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.