SCHEMBL18149201

SCHEMBL18149201

O=C(CO)N1CCN(c2ncc(Br)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.53
NR2E3 Q9Y5X4 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
PANK3 Q9H999 1/20 0.49
KDM4E B2RXH2 5/20 0.47
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
CHIA Q9BZP6 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 1/20 0.44
AKR1C3 P42330 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
TIPARP Q7Z3E1 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
SCHEMBL18150026 0.82 PANK3 (0.48) PPARGNR2E3NCOR2PANK3KDM4E
SCHEMBL2825734 0.81 PANK3 (0.52) PPARGNR2E3NCOR2PANK3KDM4E
SCHEMBL1433484 0.80 PANK3 (0.54) PPARGNR2E3NCOR2PANK3ALDH1A1
SCHEMBL24312738 0.77 TDP1 (0.50) PANK3KDM4EPOLBALDH1A1HSD17B10
SCHEMBL573370 0.77 HTT (0.48) PPARGNR2E3NCOR2PANK3KDM4E
SCHEMBL5644232 0.76 PANK3 (0.51) PPARGNR2E3NCOR2PANK3ALDH1A1
SCHEMBL18145695 0.76 CHRM1 (0.50)
SCHEMBL18145697 0.76 CHRM1 (0.50)
SCHEMBL18150109 0.76 GPR119 (0.44) POLBMAPTTDP1
SCHEMBL18150110 0.76 GPR119 (0.44) POLBMAPTTDP1

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-10160748-B2 Indazolones as modulators of tnf signaling ABBVIE INC. (US) 2018-12-25 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-03-29 US disclosed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US 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-20160304496-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A PPARG 2404/4885NR2E3 1548/4885NCOR2 2194/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A PPARG 2404/4885NR2E3 1548/4885NCOR2 2194/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A PPARG 2404/4885NR2E3 1548/4885NCOR2 2194/4885

“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.