SCHEMBL7116100

SCHEMBL7116100

CCCc1c(OCC(F)(F)F)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.45
CYP2C9 P11712 2/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ADORA1 P30542 1/20 0.39
HTT P42858 1/20 0.39
CSF1R P07333 3/20 0.39
FLT3 P36888 2/20 0.39
KIT P10721 1/20 0.39

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
SCHEMBL7546795 0.81 CNR1 (0.39) CYP2C9CSF1RLMNA
SCHEMBL7121201 0.81 ALDH1A1 (0.53) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7125974 0.81 SIRT1 (0.44) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7116736 0.79 SIRT1 (0.42) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7115575 0.78 SIRT1 (0.42) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7114302 0.78 SIRT1 (0.44) SIRT1TSHRHSD17B10CYP1A2CYP2D6
SCHEMBL7114914 0.78 SIRT1 (0.46) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7116744 0.78 SIRT1 (0.46) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7124010 0.77 SIRT1 (0.45) SIRT1TSHRHSD17B10ALDH1A1MAPT
SCHEMBL7116460 0.75 ALDH1A1 (0.65) SIRT1TSHRHSD17B10ALDH1A1MAPT

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-20030069271-A1 Quinolone compounds for use in treating viral infections SMITHKLINE BEECHAM CORPORATION 2003-04-10 US disclosed
EP-1244629-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2002-10-02 EP disclosed
WO-2001046150-A2 QUINOLONE COMPOUNDS FOR USE IN TREATING VIRAL INFECTIONS GLAXO GROUP LIMITED (GB) 2001-06-28 WO 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-20030069271-A1 Quinolone compounds for use in treating viral infections IRF3, MAVS, NQO2 SIRT1 722/4885CYP2C9 992/4885TSHR 4728/4885

“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.