SCHEMBL5152246

SCHEMBL5152246

CCOC(=O)Cc1ccc(NC(=O)Nc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.56
MAPT P10636 7/20 0.53
HRH3 Q9Y5N1 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL5157218 0.86 NPC1 (0.59) MAPTNPSR1LMNASMN1; SMN2HTT
SCHEMBL5153509 0.84 USP2 (0.61) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL5149711 0.81 MEN1 (0.60) HRH3NPSR1SMN1; SMN2MEN1KMT2A
SCHEMBL13566614 0.80 MAPT (0.55) NLRP3MAPTLMNASMN1; SMN2HTT
SCHEMBL4919590 0.80 MAPT (0.65) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL4920477 0.79 MAPT (0.68) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL13566612 0.78 TSHR (0.62) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL26547072 0.77 MAPT (0.70) MAPTMEN1KMT2ATP53L3MBTL1
SCHEMBL10685516 0.76 PPID (0.63) MAPTLMNASMN1; SMN2HTTMEN1
SCHEMBL9558501 0.75 CA12 (0.60) HRH3NPSR1MEN1KMT2A

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 NLRP3 2141/4885MAPT 3229/4885HRH3 1960/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 NLRP3 2106/4885MAPT 3296/4885HRH3 1894/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 NLRP3 2321/4885MAPT 3414/4885HRH3 1869/4885

“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.