SCHEMBL679136

SCHEMBL679136

CN1CCCC2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC21

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.64
LMNA P02545 3/20 0.63
HPGD P15428 2/20 0.63
HSD17B10 Q99714 2/20 0.63
CYP1A2 P05177 1/20 0.63
TOP2A P11388 1/20 0.63
CYP2C9 P11712 1/20 0.63
TOP2B Q02880 1/20 0.63
MAPT P10636 1/20 0.62
PIK3CG P48736 7/20 0.53
PIK3CD O00329 5/20 0.53
PIK3R1 P27986 5/20 0.53
PIK3CA P42336 5/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL6214409 0.98 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8802473 0.94 KDM4E (0.66) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9592374 0.89 KDM4E (0.68) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL6214412 0.87 KDM4E (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL680107 0.87 KDM4E (0.46) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9703656 0.86 KDM4E (0.70) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9184531 0.84 KDM4E (0.72) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8660582 0.84 KDM4E (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8741016 0.84 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL8982806 0.84 ALDH1A1 (0.57) KDM4EALDH1A1LMNAHPGDHSD17B10

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 6 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-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
US-20090209574-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2009-08-20 US disclosed
US-20090209574-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2009-08-20 US disclosed
WO-2009103053-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS ALCON RESEARCH, LTD. (US) 2009-08-20 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 (3 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 KDM4E 392/4885ALDH1A1 4160/4885LMNA 3373/4885
US-20090209574-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KDM4E 392/4885ALDH1A1 4160/4885LMNA 3373/4885
US-20120108557-A1 FLUOROQUINOLONE DERIVATIVES FOR OPHTHALMIC APPLICATIONS QARS1, UACA, CYP51A1 KDM4E 392/4885ALDH1A1 4160/4885LMNA 3373/4885

“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.