SCHEMBL2182111

SCHEMBL2182111

Cc1c(F)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12.FBF

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.48
TOP2B Q02880 10/20 0.48
KCNH2 Q12809 2/20 0.46
KDM4E B2RXH2 3/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
CYP3A4 P08684 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL8139046 0.97 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL3391642 0.97 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL7510943 0.97 TOP2A (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL3982946 0.93 TOP2A (0.48) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL4747695 0.89 KCNH2 (0.48) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL10330769 0.87 TOP2A (0.53) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL2184237 0.86 TOP2A (0.62) TOP2ATOP2BKCNH2KDM4EALDH1A1
SCHEMBL2184644 0.86 CYP3A4 (0.50) TOP2ATOP2BKCNH2KDM4EKMT2A
SCHEMBL7607382 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EKMT2ASMN1; SMN2
SCHEMBL9096661 0.86 TOP2A (0.53) TOP2ATOP2BKDM4EKMT2ASMN1; SMN2

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-8455482-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-04 US disclosed
US-7977327-B2 Substituted pyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-12 US disclosed
US-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
US-20080045520-A1 Substituted Pyrrolidine Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-02-21 US disclosed
EP-1757598-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 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 (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-20110166131-A1 SUBSTITUTED PYRROLIDINE DERIVATIVE AQP1, GLUL, GATD3 TOP2A 23/4885TOP2B 62/4885KCNH2 61/4885
US-20080045520-A1 Substituted Pyrrolidine Derivative QPCT, GMPS, QPCTL TOP2A 68/4885TOP2B 113/4885KCNH2 324/4885

“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.