SCHEMBL424111

SCHEMBL424111

O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
TSHR P16473 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MLYCD O95822 3/20 0.51
HSD11B1 P28845 2/20 0.50
ALDH1A1 P00352 3/20 0.49
P2RX7 Q99572 1/20 0.48
PDK2 Q15119 2/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
TAS1R2 Q8TE23 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.46
KDM1A O60341 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
SCHEMBL2924217 0.88 MEN1 (0.52) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL12252222 0.86 KMT2A (0.56) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL12252226 0.83 HSP90AA1 (0.56) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL421902 0.82 KMT2A (0.73) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL13122953 0.80 HPGD (0.61) HPGDMEN1KMT2ATSHRLMNA
SCHEMBL12791531 0.79 HSP90AA1 (0.62) HPGDMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL16689595 0.79 RBP4 (0.71)
SCHEMBL4635417 0.79 TAS1R3 (0.44) MEN1KMT2AHSD11B1P2RX7PDK2
SCHEMBL9971921 0.78 P2RX7 (0.49) MEN1KMT2ASMN1; SMN2POLBHSD11B1
SCHEMBL2655426 0.78 KMT2A (0.73) HPGDMEN1KMT2ATSHRSMN1; 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 7 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
CN-102015637-A Novel phenylpyrrole derivatives DAIICHI SANKYO CO LTD 2011-04-13 CN 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 1804/4885MEN1 3897/4885KMT2A 2958/4885
US-20120022075-A1 NOVEL PHENYLPYRROLE DERIVATIVE GCKR, GCK, SLC5A1 HPGD 1804/4885MEN1 3897/4885KMT2A 2958/4885

“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.