SCHEMBL4845407

SCHEMBL4845407

COC(=O)CC(NC(=O)c1ccc(N2CCCCCC2)nc1)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 1/20 0.48
NPC1 O15118 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
HPGD P15428 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC3 O15379 1/20 0.44
CYP2C9 P11712 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL4851907 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AKDM4EMAPK1
SCHEMBL4848079 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2RAB9AKDM4EMAPK1
SCHEMBL23183064 0.78 KMT2A (0.57) HDAC1ALDH1A1SMN1; SMN2RAB9AKDM4E
SCHEMBL25491992 0.71 TACR1 (0.59) ALDH1A1MAPK1HPGDKMT2AMEN1
SCHEMBL25491998 0.71 TACR1 (0.59) ALDH1A1MAPK1HPGDKMT2AMEN1
SCHEMBL15635931 0.70 CTSA (0.63)
SCHEMBL15635930 0.70 CTSA (0.63)
SCHEMBL3791932 0.70 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2RAB9AKDM4EMAPK1
SCHEMBL7325387 0.70 NPC1 (0.58) ALDH1A1SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL7130097 0.70 CASR (0.43) RAB9AKDM4EMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323456-B2 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-29 US disclosed
US-7323456-B2 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-29 US disclosed
US-7323456-B2 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-29 US disclosed
US-20040254370-A1 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 US disclosed
EP-1445256-A1 CARBOXYLIC ACID DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-11 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-20040254370-A1 Carboxylic acid derivatives compounds and agents comprising the compounds as active ingredient SREBF1, GPR119, PPARG HDAC1 141/4885ALDH1A1 355/4885SMN1; SMN2 4577/4885

“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.