SCHEMBL2400620

SCHEMBL2400620

Cc1ccc(C(=O)Nc2ccc(CC(N)C(=O)NCC(=O)O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MMP9 P14780 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NAMPT P43490 2/20 0.46
NR1H4 Q96RI1 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
CCR5 P51681 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
FFAR1 O14842 1/20 0.43
TP53 P04637 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
SCHEMBL2399552 0.89 ITGB3 (0.51) MAPTALDH1A1MEN1KMT2ANAMPT
SCHEMBL2399463 0.87 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL27746181 0.86 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDFFAR1
SCHEMBL4932973 0.85 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2MMP9
SCHEMBL4932964 0.85 NPC1 (0.58) NPC1RAB9AMAPTSMN1; SMN2MMP9
SCHEMBL2401963 0.84 KMT2A (0.53) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL21683148 0.78 TPH1 (0.47) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8830402 0.76 PRSS1 (0.53) ITGB3ITGA2B
SCHEMBL17664553 0.75 NR1H4 (0.74) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL29002157 0.75 MAPK1 (0.63) NPC1RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2013-08-29 US disclosed
US-8431540-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2013-04-30 US disclosed
US-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2012-09-27 US disclosed
EP-2386539-A2 Modified lysine-mimetic compounds Zealand Pharma A/S (DK) 2011-11-16 EP disclosed
US-D647202-S1 Bone marrow harvesting device WARSAW ORTHOPEDIC, INC. (US) 2011-10-18 US disclosed
US-8026272-B2 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2011-09-27 US disclosed
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S and Wyeth 2010-09-30 US disclosed
US-7622496-B2 antiarrhythmia agents; 1-(2-Amino-acetyl)-4-(benzoylamino)-pyrrolidine-2-carboxylic acid; desirable bioavailability properties ZEALAND PHARMA A/S (DK) 2009-11-24 US disclosed
EP-1966130-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS Zealand Pharma A/S (DK) 2008-09-10 EP disclosed
WO-2007078990-A2 MODIFIED LYSINE-MIMETIC COMPOUNDS ZEALAND PHARMA A/S (DK) 2007-07-12 WO disclosed
US-20070149460-A1 Modified lysine-mimetic compounds ZEALAND PHARMA A/S (DK) 2007-06-28 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 (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-20120245106-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885MAPT 3437/4885
US-20130225644-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885MAPT 3437/4885
US-20100249206-A1 MODIFIED LYSINE-MIMETIC COMPOUNDS MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885MAPT 3437/4885
US-20070149460-A1 Modified lysine-mimetic compounds MYLK2, KCNN2, KCNN1 NPC1 2300/4885RAB9A 1585/4885MAPT 3437/4885

“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.