SCHEMBL3579447

SCHEMBL3579447

CCOC(=O)Cc1cc(Cl)c(NC(=O)c2cn(C)c3ccccc23)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.56
ITGA4 P13612 8/20 0.56
S1PR2 O95136 1/20 0.46
MAOB P27338 3/20 0.45
NR4A2 P43354 1/20 0.43
KMT2A Q03164 2/20 0.42
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL71040 0.87 ITGB1 (0.57) ITGB1ITGA4S1PR2MAOBNR4A2
SCHEMBL2429129 0.86 ITGB1 (0.55) ITGB1ITGA4MAOBNR4A2KMT2A
SCHEMBL14491726 0.82 KDM4E (0.47) ITGB1ITGA4ALDH1A1NPC1RAB9A
SCHEMBL14491723 0.81 ITGB1 (0.51) ITGB1ITGA4ALDH1A1LMNAMAPT
SCHEMBL14491702 0.81 ITGB1 (0.49) ITGB1ITGA4KMT2ALMNAMAPT
SCHEMBL91608 0.81 MAOB (0.54) ITGB1ITGA4MAOBNR4A2KMT2A
SCHEMBL2432469 0.80 ALDH1A1 (0.44) ITGB1ITGA4MAOBNR4A2KMT2A
SCHEMBL71948 0.80 RAB9A (0.48) ITGB1ITGA4MAOBNR4A2KMT2A
SCHEMBL14491710 0.79 ITGB1 (0.47) ITGB1ITGA4KMT2AALDH1A1LMNA
SCHEMBL5708317 0.79 SMN1; SMN2 (0.43) MAOBKMT2AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-25 US disclosed
US-7345179-B2 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
US-20070149607-A1 Method for producing pyrrolidine derivative DAICHI PAHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 US disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
EP-1698621-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 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 (4 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-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE ALDH18A1, PLAAT4, ACSL4 ITGB1 820/4885ITGA4 28/4885S1PR2 2282/4885
US-20070149607-A1 Method for producing pyrrolidine derivative ALDH18A1, PLAAT4, ACSL4 ITGB1 820/4885ITGA4 28/4885S1PR2 2282/4885
US-20070105935-A1 Process for producing pyrrolidine derivative ACSL4, ALDH18A1, LTA ITGB1 2327/4885ITGA4 287/4885S1PR2 1781/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885S1PR2 3875/4885

“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.