SCHEMBL6543136

SCHEMBL6543136

COC(=O)c1ccc(OCC2C[C@H](F)CN2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL2437353 1.00 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL5153100 1.00 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL14592489 0.86 MAPT (0.51) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL5155472 0.85 MAPT (0.50) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL14592420 0.82 ALDH1A1 (0.45) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14592143 0.82 MGLL (0.40) MAPTSMN1; SMN2TDP1L3MBTL1LMNA
SCHEMBL5155354 0.81 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL6207542 0.81 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL6956321 0.81 MAPT (0.47) MAPTRAB9ASMN1; SMN2NPC1CA1
SCHEMBL2433390 0.80 MAPT (0.53) MAPTRAB9ASMN1; SMN2NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US 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 (1 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MAPT 3229/4885RAB9A 2282/4885SMN1; SMN2 4151/4885

“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.