SCHEMBL19706697

SCHEMBL19706697

CC(=O)Nc1cc(F)cc(-c2cccnc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDR P35968 2/20 0.51
EGFR P00533 1/20 0.51
FGFR1 P11362 1/20 0.51
CYP1A2 P05177 2/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 1/20 0.50
GMNN O75496 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL19699536 0.85 HTT (0.52) KDREGFRFGFR1CYP1A2KDM4E
SCHEMBL11222723 0.82 CNR1 (0.64) ALDH1A1HPGDHSD17B10CYP1A2MEN1
SCHEMBL8306109 0.81 CYP2A6 (0.48) ALDH1A1KDREGFRFGFR1CYP1A2
SCHEMBL7082536 0.80 PORCN (0.53) ALDH1A1KDREGFRFGFR1CYP1A2
SCHEMBL11192637 0.79 NPC1 (0.65) ALDH1A1HPGDHSD17B10KDRCYP1A2
SCHEMBL29611891 0.79 NPC1 (0.65) ALDH1A1HPGDHSD17B10KDRCYP1A2
SCHEMBL1570408 0.78 HPGD (0.53) ALDH1A1HPGDHSD17B10KDRCYP1A2
SCHEMBL9009066 0.77 CYP2A6 (0.65) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL5225827 0.75 CYP19A1 (0.60) ALDH1A1EGFRKDM4ELMNAMAPT
SCHEMBL16737579 0.75 SYK (0.72) ABL1PDGFRBBCRPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 993/4885HPGD 229/4885HSD17B10 1577/4885

“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.