SCHEMBL426145

SCHEMBL426145

O=C(c1cc[c]c(C(F)(F)F)c1)N1CCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MLYCD O95822 3/20 0.46
PDK2 Q15119 3/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM1A O60341 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL426196 0.80 SMN1; SMN2 (0.55) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL424048 0.76 HPGD (0.52) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL421715 0.76 HPGD (0.51) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL27613771 0.75 AKR1C3 (0.41) POLBTSHRSMN1; SMN2PDK2ALDH1A1
SCHEMBL3713636 0.75 HPGD (0.55) HPGDLMNAPOLBMEN1KMT2A
SCHEMBL3940051 0.74 PARP1 (0.40) POLBMEN1KMT2ATSHRPDK2
SCHEMBL29119932 0.73 ERN1 (0.54) HPGDPOLBMEN1KMT2AMLYCD
SCHEMBL3713677 0.73 HPGD (0.56) HPGDLMNAPOLBTSHRALDH1A1
SCHEMBL3778711 0.73 HPGD (0.58) HPGDMEN1KMT2ATSHRALDH1A1
SCHEMBL27967554 0.73 SMN1; SMN2 (0.44) HPGDKMT2ATSHRSMN1; SMN2ALDH1A1

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
EP-2239253-B1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP disclosed
US-8415359-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-04-09 US disclosed
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-26 US disclosed
US-8017610-B2 Phenylpyrrole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-09-13 US disclosed
US-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-06 US disclosed
EP-2239253-A1 NOVEL PHENYLPYRROLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-10-13 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-20110003787-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HPGD 1804/4885LMNA 4848/4885POLB 4619/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HPGD 1804/4885LMNA 4848/4885POLB 4619/4885

“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.