SCHEMBL538320

SCHEMBL538320

OCCc1cn2cccnc2n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.56
ALDH1A1 P00352 13/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 8/20 0.51
NPC1 O15118 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 3/20 0.48
RCE1 Q9Y256 1/20 0.48
GLA P06280 1/20 0.46

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
SCHEMBL9597409 0.86 KDM4E (0.58) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL9946224 0.83 KDM4E (0.56) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL12463811 0.81 KDM4E (0.51) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL10205883 0.80 KDM4E (0.50) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL2053852 0.79 KDM4E (0.52) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL2813856 0.79 KDM4E (0.58) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL12309221 0.79 KDM4E (0.58) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL9569958 0.79 KDM4E (0.58) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL8352732 0.79 KDM4E (0.59) KDM4EALDH1A1PKMHPGDNPC1
SCHEMBL12463617 0.79 KDM4E (0.49) KDM4EALDH1A1PKMHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415474-B1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF OPHTHALMIC DISEASES UBE INDUSTRIES (JP) 2013-08-28 EP disclosed
EP-2221308-B1 BENZAZEPINONE COMPOUND UBE INDUSTRIES (JP) 2013-07-10 EP disclosed
US-8377922-B2 Benzazepinone compound UBE INDUSTRIES, LTD. (JP) 2013-02-19 US disclosed
US-8377922-B2 Benzazepinone compound UBE INDUSTRIES, LTD. (JP) 2013-02-19 US disclosed
US-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES UBE INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
US-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES UBE INDUSTRIES, LTD. (JP) 2012-04-19 US disclosed
EP-2415474-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OR PREVENTION OF OPHTHALMIC DISEASES Ube Industries, Ltd. (JP) 2012-02-08 EP disclosed
US-20100249396-A1 BENZAZEPINONE COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-09-30 US disclosed
US-20100249396-A1 BENZAZEPINONE COMPOUND UBE INDUSTRIES, LTD. (JP) 2010-09-30 US disclosed
EP-2221308-A1 BENZAZEPINONE COMPOUND Ube Industries, Ltd. (JP) 2010-08-25 EP disclosed
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 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 (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-20120095215-A1 MEDICAL COMPOSITION FOR TREATMENT OR PROPHYLAXIS OF EYE DISEASES VEGFA, UACA, PGF KDM4E 3889/4885ALDH1A1 1693/4885PKM 2290/4885
US-20100249396-A1 BENZAZEPINONE COMPOUND KCNJ11, KCNJ1, KCNJ2 KDM4E 1655/4885ALDH1A1 625/4885PKM 260/4885

“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.