SCHEMBL5149945

SCHEMBL5149945

O=C(O)Cc1ccc(NC(=O)Nc2ccccc2Cl)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ITGA4 P13612 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
CXCR2 P25025 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
FAAH O00519 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CXCR1 P25024 2/20 0.48
GRIK1 P39086 2/20 0.48
KDM4E B2RXH2 2/20 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
SCHEMBL5155399 0.90 CXCR2 (0.54) MEN1KMT2AITGA4NPC1RAB9A
SCHEMBL5150193 0.89 MEN1 (0.52) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5151496 0.89 MEN1 (0.58) MEN1KMT2AITGA4NPC1RAB9A
SCHEMBL5152977 0.86 ITGA4 (0.49) MEN1KMT2AITGA4NPC1RAB9A
SCHEMBL5153450 0.84 NR1H4 (0.52) MEN1KMT2AITGA4NPC1RAB9A
SCHEMBL5156432 0.84 ITGB1 (0.52) MEN1KMT2AITGA4NPC1RAB9A
SCHEMBL5152186 0.81 ALDH1A1 (0.56) MEN1KMT2AITGA4NPC1RAB9A
SCHEMBL6543618 0.81 MEN1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5151792 0.80 MEN1 (0.55) MEN1KMT2ANPC1RAB9ACXCR2
SCHEMBL5156956 0.79 ITGB1 (0.52) MEN1KMT2AITGA4CA2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
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
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 MEN1 2953/4885KMT2A 1046/4885ITGA4 3/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 MEN1 3283/4885KMT2A 735/4885ITGA4 4/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 MEN1 3022/4885KMT2A 918/4885ITGA4 5/4885

“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.