SCHEMBL5394169

SCHEMBL5394169

CCOc1cccc(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2c(F)cccc2F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.45
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LTB4R Q15722 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.39
HPGD P15428 4/20 0.39
KLKB1 P03952 1/20 0.38
KLK1 P06870 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ROCK1 Q13464 1/20 0.37
POLB P06746 2/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL5409429 0.93 LMNA (0.46) RAB9AKMT2AKDM4EALDH1A1MEN1
SCHEMBL5412218 0.92 RAB9A (0.56) RAB9AKMT2AKDM4EALDH1A1MEN1
SCHEMBL5406613 0.92 FFAR1 (0.41) RAB9AKMT2AKDM4EALDH1A1MEN1
SCHEMBL5401008 0.91 RAB9A (0.52) RAB9AKMT2AKDM4EALDH1A1LTB4R
SCHEMBL5411805 0.90 RAB9A (0.47) RAB9AKMT2AKDM4EALDH1A1LTB4R
SCHEMBL5394068 0.90 RAB9A (0.49) RAB9AKMT2AKDM4EALDH1A1MEN1
SCHEMBL5394436 0.90 RAB9A (0.47) RAB9AKMT2AKDM4EALDH1A1MEN1
SCHEMBL5392416 0.89 KCNA5 (0.43) RAB9AKMT2AALDH1A1LTB4RLTB4R2
SCHEMBL5402665 0.88 RAB9A (0.61) RAB9AKMT2AKDM4EALDH1A1MEN1
SCHEMBL5409280 0.88 RAB9A (0.44) RAB9AKMT2AKDM4EALDH1A1TDP1

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 3132/4885KMT2A 2451/4885KDM4E 4680/4885

“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.