SCHEMBL19699536

SCHEMBL19699536

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
KDR P35968 2/20 0.48
EGFR P00533 1/20 0.48
FGFR1 P11362 1/20 0.48
LMNA P02545 2/20 0.48
CYP2C19 P33261 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GMNN O75496 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL19706697 0.85 ALDH1A1 (0.53) KDREGFRFGFR1LMNACYP2C19
SCHEMBL19531638 0.84 HTT (0.67) HTTLMNAKDM4EMEN1TP53
SCHEMBL8306109 0.78 CYP2A6 (0.48) KDREGFRFGFR1LMNACYP2C19
SCHEMBL7082536 0.77 PORCN (0.53) KDREGFRFGFR1LMNACYP2C19
SCHEMBL1911526 0.76 HTT (0.67) HTTLMNACYP2C19TP53ALOX15
SCHEMBL2713283 0.75 KMT2A (0.56) HTTLMNACYP2C19KDM4EMEN1
SCHEMBL9009066 0.73 CYP2A6 (0.65) HTTLMNACYP2C19KDM4EMEN1
SCHEMBL5225827 0.72 CYP19A1 (0.60) EGFRLMNAKDM4EMAPTCYP11B1
SCHEMBL24726636 0.72 CTSA (0.51) MEN1CYP1A2CYP3A4DYRK1ADYRK1B
SCHEMBL19699461 0.71 KMT2A (0.47) HTTLMNACYP2C19KDM4EMEN1

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 HTT 420/4885KDR 1659/4885EGFR 3012/4885

“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.