SCHEMBL5908451

SCHEMBL5908451

O=C(O)C=Cc1cn(C2CC2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ TOP2B Q02880 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TOP2A P11388 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPT P10636 1/20 0.43
▸ HTT P42858 2/20 0.38
▸ PIK3CG P48736 5/20 0.38
▸ PIK3CD O00329 4/20 0.38
▸ PIK3R1 P27986 4/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ MIF P14174 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5908705 1.00 KDM4E (0.46) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL5908447 1.00 KDM4E (0.46) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL262200 0.83 MEN1 (0.48) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL262201 0.83 MEN1 (0.48) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL29576548 0.81 ALDH1A1 (0.43) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL5908567 0.81 ALDH1A1 (0.43) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL501238 0.78 KDM4E (0.69) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL29442121 0.78 KDM4E (0.69) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL5908463 0.76 KDM4E (0.35) KDM4EALDH1A1TOP2BLMNATOP2A
SCHEMBL5908450 0.76 KDM4E (0.35) KDM4EALDH1A1TOP2BLMNATOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056917-B2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-06 — — US disclosed
US-20060106034-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-18 — — US disclosed
US-20050009843-A1 Medicine for inhibiting drug elimination pump TRINE PHARMACEUTICALS, INC. 2005-01-13 — — US disclosed
EP-1389463-A1 MEDICINE FOR INHIBITING DRUG ELIMINATION PUMP DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 — — EP disclosed
US-20030092720-A1 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD (JP) 2003-05-15 — — 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 (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-20030092720-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC1 KDM4E 2648/4885ALDH1A1 1515/4885TOP2B 3286/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 KDM4E 2673/4885ALDH1A1 1244/4885TOP2B 3814/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 KDM4E 1928/4885ALDH1A1 1997/4885TOP2B 4769/4885

“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.

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