SCHEMBL71626

SCHEMBL71626

CCOC(=O)Cc1cc(Cl)c(NC(=O)c2c[nH]c3ccccc23)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPC1 O15118 2/20 0.50
NHERF1 O14745 1/20 0.48
CFTR P13569 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.44
HTR4 Q13639 1/20 0.44
MAOB P27338 1/20 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
SCHEMBL72295 0.91 PKM (0.54) PKMMEN1KMT2AMAPTCYP1A2
SCHEMBL2438042 0.86 ITGB1 (0.53) PKMMEN1KMT2AMAPTCYP1A2
SCHEMBL72972 0.85 NHERF1 (0.54) PKMMEN1KMT2AMAPTCYP1A2
SCHEMBL5708329 0.85 PKM (0.40) PKMKMT2ANHERF1ALDH1A1KDM4E
SCHEMBL92574 0.81 NPC1 (0.61) MEN1KMT2ANPC1NHERF1CFTR
SCHEMBL5708317 0.80 SMN1; SMN2 (0.43) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL73880 0.80 MAOB (0.47) MAPTNPC1SMN1; SMN2MAOB
SCHEMBL3579447 0.79 ITGB1 (0.56) MEN1KMT2AMAPTNPC1LMNA
SCHEMBL14592280 0.78 PKM (0.51) PKMMEN1KMT2AMAPTCYP1A2
SCHEMBL73753 0.76 NHERF1 (0.51) MEN1KMT2AMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PKM 4083/4885MEN1 4254/4885KMT2A 568/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 PKM 4112/4885MEN1 4337/4885KMT2A 656/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 PKM 4337/4885MEN1 4226/4885KMT2A 881/4885

“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.