SCHEMBL6037520

SCHEMBL6037520

Cc1ccc(NC(=O)c2cc[nH]c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 7/20 0.61
MAPT P10636 4/20 0.61
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 2/20 0.49
TP53 P04637 2/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
NAMPT P43490 1/20 0.49
MCL1 Q07820 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
P4HTM Q9NXG6 1/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 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
SCHEMBL18993451 0.82 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL6037515 0.82 NPC1 (0.43) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL8772217 0.82 POLB (0.54) RAB9ANPC1SMN1; SMN2MAPTTDP1
Hydrochloric Acid SCHEMBL31228747 0.81 PTPN1 (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL6954756 0.81 PTPN1 (0.58) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL12310125 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL15214321 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL14580374 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL822378 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTTDP1
SCHEMBL27181403 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTTDP1

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 RAB9A 1779/4885NPC1 2649/4885SMN1; SMN2 3410/4885
US-20160244407-A1 ARYLOYL(OXY OR AMINO)PENTAFLUOROSULFANYLBENZENE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PRODRUGS THEREOF SLCO1B1, SLCO2B1, SLCO1B3 RAB9A 793/4885NPC1 1429/4885SMN1; SMN2 2105/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885SMN1; SMN2 3410/4885

“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.