SCHEMBL2437588

SCHEMBL2437588

O=C(NCCC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)Nc1cccc(C(=O)O)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 8/20 0.74
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KCNK3 O14649 1/20 0.47
GRIK1 P39086 1/20 0.46

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
SCHEMBL2429603 0.89 CASR (0.77) CASRMEN1KMT2AHTTMAPT
SCHEMBL2431701 0.86 CASR (1.00) CASRRAB9AEPHX2ALDH1A1
SCHEMBL6431565 0.80 MAPT (0.77) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL2435519 0.79 CASR (0.81) CASRHTTMAPTRAB9AALDH1A1
SCHEMBL15848571 0.77 ALDH1A1 (0.54) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL2429151 0.76 CASR (0.76) CASRMEN1KMT2AHTTMAPT
SCHEMBL5144553 0.76 HTT (0.66) MEN1KMT2AHTTMAPTRAB9A
SCHEMBL23902830 0.75 SLC6A3 (0.68) CASRMEN1KMT2AHTTMAPT
SCHEMBL2430642 0.74 CASR (1.00) CASRMEN1KMT2AMAPTRAB9A
SCHEMBL2434317 0.74 CASR (0.81) CASRMEN1KMT2AMAPTRAB9A

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
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 US disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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 (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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885MEN1 2770/4885KMT2A 4672/4885

“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.