SCHEMBL5408490

SCHEMBL5408490

COc1cc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCCc2ccccc2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.48
SLC6A5 Q9Y345 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LPAR1 Q92633 3/20 0.46
NPC1 O15118 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 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
SCHEMBL5406045 0.93 RAB9A (0.55) RAB9ASLC6A5LPAR1NPC1LMNA
SCHEMBL5399549 0.92 KMT2A (0.53) RAB9ASLC6A5KMT2AMAPTALDH1A1
SCHEMBL5407023 0.91 RAB9A (0.57) RAB9ASLC6A5KMT2AMEN1MAPT
SCHEMBL5399241 0.89 NPC1 (0.51) RAB9AMAPTALDH1A1NPSR1NPC1
SCHEMBL5409010 0.89 RAB9A (0.65) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL5409048 0.88 RAB9A (0.45) RAB9AMAPTALDH1A1CYP1A2LPAR1
SCHEMBL5397739 0.88 RAB9A (0.53) RAB9ASLC6A5KMT2AMEN1MAPT
SCHEMBL5395599 0.87 PLAAT3 (0.56) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL5399552 0.86 RAB9A (0.67) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL5393037 0.86 TAAR1 (0.46) RAB9ASLC6A5KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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 (1 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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB RAB9A 3132/4885SLC6A5 1200/4885KMT2A 2451/4885

“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.