SCHEMBL5777435

SCHEMBL5777435

NC(=O)c1cn(C2CC2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
TOP2A P11388 3/20 0.55
TOP2B Q02880 3/20 0.55
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MAPT P10636 1/20 0.52
PIK3CG P48736 4/20 0.45
PIK3CD O00329 3/20 0.45
PIK3R1 P27986 3/20 0.45
PIK3CA P42336 3/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43

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
SCHEMBL6498695 0.95 ALDH1A1 (0.62) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL501238 0.87 KDM4E (0.69) ALDH1A1KDM4ELMNATOP2ATOP2B
SCHEMBL29442121 0.87 KDM4E (0.69) ALDH1A1KDM4ELMNATOP2ATOP2B
Fluoride SCHEMBL5143436 0.85 KDM4E (0.66) ALDH1A1KDM4ELMNATOP2ATOP2B
SCHEMBL15991947 0.84 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL29518174 0.84 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL5143438 0.84 KDM4E (0.65) ALDH1A1KDM4ELMNATOP2ATOP2B
SCHEMBL9577810 0.83 KDM4E (0.53) KMT2AALDH1A1KDM4ELMNATOP2A
SCHEMBL30781557 0.83 KDM4E (0.53) KMT2AALDH1A1KDM4ELMNATOP2A
SCHEMBL1243805 0.82 KDM4E (0.63) MEN1KMT2AALDH1A1KDM4ELMNA

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 8 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
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP 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
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP 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 MEN1 4800/4885KMT2A 3288/4885ALDH1A1 1515/4885
US-20060106034-A1 Drug efflux pump inhibitor ABCB11, ABCB1, ABCC5 MEN1 4498/4885KMT2A 3512/4885ALDH1A1 1244/4885
US-20050009843-A1 Medicine for inhibiting drug elimination pump ABCB11, ATP6AP1, HRH2 MEN1 3567/4885KMT2A 3458/4885ALDH1A1 1997/4885

“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.