SCHEMBL679171

SCHEMBL679171

Cc1cn(C2CC2)c2c(F)c(N3CC4CCCN(C)C4C3)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNH2 Q12809 6/20 0.40
POLB P06746 2/20 0.38
OPRM1 P35372 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRD1 P41143 1/20 0.38
TOP2A P11388 6/20 0.38
TOP2B Q02880 6/20 0.38
PRKD3 O94806 1/20 0.37
ALOX15 P16050 1/20 0.37
CLK2 P49760 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL680312 0.90 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9570692 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL680228 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL8982806 0.87 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL8982802 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL8982810 0.86 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL6211963 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9570701 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL9411006 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9411090 0.84 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2012-05-03 US disclosed
US-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2011-06-30 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 (2 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-20110160172-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 ALDH1A1 4160/4885KDM4E 392/4885HPGD 1869/4885
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 ALDH1A1 4160/4885KDM4E 392/4885HPGD 1869/4885

“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.