SCHEMBL6037543

SCHEMBL6037543

Cc1ccc(NC(=O)c2ccc[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 7/20 0.59
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MAPT P10636 2/20 0.59
GFER P55789 1/20 0.58
KDM1A O60341 1/20 0.57
RCOR1 Q9UKL0 1/20 0.57
TMIGD3 P0DMS9 1/20 0.52
ADORA1 P30542 1/20 0.52
SCN9A Q15858 1/20 0.52
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
HTT P42858 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
NAMPT P43490 1/20 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
SCHEMBL22822554 0.86 RAB9A (0.58) NPC1RAB9ASMN1; SMN2MAPTGFER
SCHEMBL29368677 0.84 NPC1 (0.60) NPC1RAB9AGFERKDM1ARCOR1
SCHEMBL4954697 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2GFERKDM1A
SCHEMBL16692690 0.83 NPC1 (0.58) KDM4ENPC1RAB9AGFERKDM1A
SCHEMBL7589089 0.83 KDM1A (0.61) NPC1RAB9AMAPTGFERKDM1A
SCHEMBL6037540 0.83 NPC1 (0.58) KDM4ENPC1RAB9AGFERKDM1A
Hydrochloric Acid SCHEMBL31228757 0.82 KDM1A (0.60) NPC1RAB9ASMN1; SMN2GFERKDM1A
SCHEMBL12764052 0.82 MEN1 (0.59) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL12764088 0.82 FKBP5 (0.60) NPC1RAB9ASMN1; SMN2MAPTGFER
SCHEMBL12764147 0.80 KCNMA1 (0.55) KDM4ENPC1RAB9AGFERKDM1A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-9682931-B2 Aryloyl(oxy or amino)pentafluorosulfanylbenzene compound, pharmaceutically acceptable salt thereof, and prodrugs thereof UBE INDUSTRIES, LTD. (JP) 2017-06-20 US disclosed
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF UBE INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (3 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KDM4E 3595/4885NPC1 2649/4885RAB9A 1779/4885
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 KDM4E 1553/4885NPC1 1429/4885RAB9A 793/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KDM4E 3595/4885NPC1 2649/4885RAB9A 1779/4885

“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.