SCHEMBL8655451

SCHEMBL8655451

COC(=O)c1cc2c(N)cccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ULK1 O75385 1/20 0.48
PIM3 Q86V86 1/20 0.47
KIF11 P52732 1/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
NR4A2 P43354 2/20 0.45
FLT3 P36888 4/20 0.45
CFTR P13569 1/20 0.45
XDH P47989 1/20 0.45
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 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
SCHEMBL6303402 0.84 KDM4E (0.55) HRH4ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL31513837 0.84 HRH4 (0.52) HRH4ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2134591 0.83 FLT3 (0.58) ALDH1A1HSD17B10KDM4EHPGDMEN1
SCHEMBL30310659 0.83 HRH4 (0.55) HRH4ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL915460 0.83 HRH4 (0.55) HRH4ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2323348 0.81 FLT3 (0.59) HRH4ULK1KIF11CYP1A2GAA
SCHEMBL217459 0.81 FLT3 (0.66) HRH4KDM4EMEN1KMT2AULK1
SCHEMBL2205092 0.81 HRH4 (0.56) HRH4ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL5568273 0.81 FLT3 (0.59) HRH4ULK1KIF11CYP1A2GAA
SCHEMBL31156446 0.80 HRH4 (0.57) HRH4ALDH1A1HSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377717-B2 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2019-08-13 US disclosed
US-20180251429-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. 2018-09-06 US disclosed
EP-3350166-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2018-07-25 EP disclosed
WO-2017049177-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
WO-2017049177-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2017-03-23 WO disclosed
EP-0678090-B1 PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 1998-10-14 EP disclosed
US-5627177-A Piperazine derivatives JOHN WYETH & BROTHER, LTD. (GB) 1997-05-06 US disclosed
EP-0678090-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-10-25 EP disclosed
WO-1994015919-A1 PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1994-07-21 WO 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-20180251429-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H2, NR1H3 HRH4 590/4885ALDH1A1 2205/4885HSD17B10 308/4885
US-10377717-B2 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 HRH4 590/4885ALDH1A1 2205/4885HSD17B10 308/4885

“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.