SCHEMBL8445012

SCHEMBL8445012

COc1ccc(CSc2nc[nH]n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.57
RAB9A P51151 4/20 0.57
CTSB P07858 1/20 0.48
APP P05067 1/20 0.47
METAP2 P50579 3/20 0.47
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
MMP13 P45452 1/20 0.45
HTT P42858 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
DAO P14920 2/20 0.43

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
SCHEMBL13750190 0.88 MAPK1 (0.44) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13870209 0.83 RECQL (0.54) NPC1RAB9AMETAP2MEN1KMT2A
SCHEMBL6248367 0.82 CYP1A2 (0.50) NPC1RAB9ACTSBMETAP2TP53
SCHEMBL4317157 0.82 NPC1 (0.40) NPC1RAB9ACTSBMETAP2MEN1
SCHEMBL6243612 0.81 MAPT (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13778173 0.81 DAO (0.50) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14027386 0.80 MAPK1 (0.59) NPC1RAB9ACTSBMETAP2MEN1
SCHEMBL5376203 0.80 HSD17B10 (0.58) NPC1RAB9AMETAP2SMN1; SMN2LMNA
SCHEMBL9851981 0.76 L3MBTL1 (0.54) RAB9ACTSBSMN1; SMN2LMNATSHR
SCHEMBL4330308 0.76 NPC1 (0.36) NPC1RAB9ATP53MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220079924-A1 GLUCOCORTICOID RECEPTOR MODULATORS ORIC PHARMACEUTICALS, INC. 2022-03-17 US disclosed
US-7446120-B2 Peptidomimetic modulators of cell adhesion ADHEREX TECHNOLOGIES, INC. (CA) 2008-11-04 US disclosed
US-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 US disclosed
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2008-04-03 US disclosed
US-7268115-B2 Cyclic peptides; three-dimensional structures; screening; anticancer agents; angiogenesis inhibitors; drug delivery ADHEREX TECHNOLOGIES, INC. (CA) 2007-09-11 US disclosed
EP-0594263-B1 INTERMEDIATES FOR THE PREPARATION OF THIOALKYLTHIO CEPHALOSPORIN DERIVATIVES SHIONOGI & CO (JP) 1999-06-09 EP disclosed
CN-1034504-C Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1997-04-09 CN disclosed
US-5352792-A Bactericides SHIONOGI & CO., LTD. (JP) 1994-10-04 US disclosed
EP-0467647-B1 Thioalkylthio cephalosporin derivatives SHIONOGI & CO (JP) 1994-08-17 EP disclosed
EP-0594263-A1 Thioalkylthio cephalosporin derivatives and intermediates SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1994-04-27 EP disclosed
US-5214037-A Antibiotic, bactericide SHIONOGI & CO., LTD. (JP) 1993-05-25 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 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 (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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 NPC1 2446/4885RAB9A 248/4885CTSB 835/4885
US-20080081831-A1 PEPTIDOMIMETIC MODULATORS OF CELL ADHESION CDH1, EPCAM, VCAM1 NPC1 4627/4885RAB9A 2023/4885CTSB 3085/4885
US-20220079924-A1 GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, NR5A1 NPC1 1898/4885RAB9A 3696/4885CTSB 4594/4885

“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.