SCHEMBL13161908

SCHEMBL13161908

Nc1ccc(F)cc1C(=O)NC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
KEAP1 Q14145 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
DYRK1A Q13627 1/20 0.47
KDM1A O60341 3/20 0.46
CHEK1 O14757 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.45
FADS1 O60427 1/20 0.44
SMYD3 Q9H7B4 1/20 0.44
CNR2 P34972 2/20 0.43
ALDH1A1 P00352 2/20 0.43
NTRK1 P04629 2/20 0.43
JAK2 O60674 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2A1 P68400 1/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 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
SCHEMBL6367825 0.90 HPGD (0.63) HPGDKEAP1KDM1AFADS1SMYD3
SCHEMBL13161899 0.89 HPGD (0.56) HPGDHDAC3HDAC1HDAC2DYRK1A
SCHEMBL22720149 0.86 NPC1 (0.59) HPGDKEAP1KDM1ACNR2ALDH1A1
SCHEMBL13162869 0.83 HPGD (0.52) HPGDKDM1ACNR2ALDH1A1NTRK1
SCHEMBL13162536 0.83 ALDH1A1 (0.61) HPGDDYRK1AKDM1ACHEK1CNR2
SCHEMBL13162026 0.81 HPGD (0.56) HPGDKDM1ACNR2ALDH1A1NTRK1
SCHEMBL13161909 0.80 HPGDS (0.56) HPGDKDM1ACHEK1PIK3C3SMYD3
SCHEMBL13162535 0.80 HPGD (0.52) HPGDDYRK1AKDM1AALDH1A1
SCHEMBL13575482 0.80 KDM1A (0.51) HPGDHDAC1HDAC2DYRK1AKDM1A
SCHEMBL1559122 0.80 CHEK1 (0.52) HPGDKDM1ACHEK1ALDH1A1KDM4E

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 HPGD 1224/4885KEAP1 1598/4885HDAC3 510/4885

“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.