SCHEMBL4107168

SCHEMBL4107168

CCC(CC)n1cc(C(=O)N[C@H](Cc2cccnc2)C(=O)O)c(=O)c2cc(F)c(NC3CCCCC3)cc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
PDE10A Q9Y233 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
GPR132 Q9UNW8 7/20 0.37
BRD4 O60885 1/20 0.37
CMKLR2 P46091 1/20 0.36
CMKLR1 Q99788 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36
ITGB7 P26010 1/20 0.36
ACE P12821 1/20 0.35

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
Hydrochloric Acid SCHEMBL4103837 0.99 MEN1 (0.47) MEN1KMT2AGAAPDE10AKDM4E
SCHEMBL1242667 0.94 MEN1 (0.47) MEN1KMT2AGAAPDE10AKDM4E
Hydrochloric Acid SCHEMBL1242617 0.93 MEN1 (0.46) MEN1KMT2AGAAPDE10AKDM4E
SCHEMBL1242668 0.85 MEN1 (0.47) MEN1KMT2AGAAPDE10AKDM4E
SCHEMBL1242669 0.84 MEN1 (0.46) MEN1KMT2AGAAPDE10AKDM4E
Hydrochloric Acid SCHEMBL1242618 0.84 MEN1 (0.46) MEN1KMT2AGAAPDE10AKDM4E
Hydrochloric Acid SCHEMBL1242620 0.84 MEN1 (0.46) MEN1KMT2AGAAPDE10AKDM4E
SCHEMBL1242497 0.83 MEN1 (0.54) MEN1KMT2AGAAPDE10AKDM4E
SCHEMBL27635118 0.83 MEN1 (0.54) MEN1KMT2AGAAPDE10AKDM4E
SCHEMBL261932 0.76 MEN1 (0.52) MEN1KMT2AGAAPDE10AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-05-14 US disclosed
US-7488739-B2 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-02-10 US disclosed
US-20060148806-A1 Quinolone derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2006-07-06 US disclosed
EP-1650192-A1 QUINOLONE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-04-26 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 (2 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-20090124617-A1 QUINOLONE DERIVATIVE OR SALT THEREOF THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885
US-20060148806-A1 Quinolone derivative or salt thereof THPO, ABL1, GMPS MEN1 2643/4885KMT2A 2659/4885GAA 1758/4885

“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.