SCHEMBL18150249

SCHEMBL18150249

O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Br)cc1I

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 9/20 0.53
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.48
GRIK1 P39086 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ACLY P53396 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
GPR35 Q9HC97 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
SCHEMBL20011707 0.84 GAA (0.54) GAAALDH1A1KMT2AMAPTLMNA
SCHEMBL20984437 0.71 GAA (0.58) GAAALDH1A1KMT2AMAPTHCRTR1
SCHEMBL4182153 0.70 NPC1 (0.63) GAAALDH1A1KMT2AMAPTLMNA
SCHEMBL13485808 0.70 HDAC8 (0.49) ALDH1A1GRIK1MAPTTDP1FLT1
SCHEMBL15135520 0.70 GAA (0.57) GAAALDH1A1KMT2AMAPTLMNA
SCHEMBL29168834 0.69 MEN1 (0.63) ALDH1A1KMT2AGRIK1MAPTLMNA
SCHEMBL18152216 0.68 ALDH1A1 (0.41) GAAALDH1A1KMT2AGRIK1MAPT
SCHEMBL1307332 0.68 PPARG (0.71) KMT2AGRIK1FLT1FLT4KDR
SCHEMBL3322250 0.67 HPGD (0.44) GAAALDH1A1KMT2AMAPTHCRTR1
SCHEMBL19329039 0.66 DGAT1 (0.41) GAAALDH1A1KMT2AMAPTLMNA

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
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-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
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 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 (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 GAA 3541/4885ALDH1A1 1402/4885KMT2A 4824/4885
US-20180086737-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING TNF, CD40, TNFRSF1A GAA 3541/4885ALDH1A1 1402/4885KMT2A 4824/4885
US-10160748-B2 Indazolones as modulators of tnf signaling TNF, CD40, TNFRSF1A GAA 3541/4885ALDH1A1 1402/4885KMT2A 4824/4885

“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.