SCHEMBL16406901

SCHEMBL16406901

Cn1nnc2cc(CC/C(N)=N/O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.43
HPGD P15428 6/20 0.41
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
KEAP1 Q14145 3/20 0.38
SLC9A1 P19634 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 3/20 0.37
CTNNB1 P35222 2/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
NPC1 O15118 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
EPHX2 P34913 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16406897 0.86 HCAR3 (0.46) HCAR3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL26802184 0.79 HCAR3 (0.54) HCAR3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL16831705 0.79 HCAR3 (0.57) HCAR3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL15185645 0.78 PLA2G4A (0.34) HCAR3HSD17B10MAPTSMN1; SMN2RAB9A
SCHEMBL13862926 0.76 HPGD (0.49) HCAR3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL18127923 0.76 KMT2A (0.45) HCAR3HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL18127924 0.76 KMT2A (0.45) HCAR3HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL16406914 0.76 CTNNB1 (0.50) CTNNB1
SCHEMBL904701 0.75 HCAR3 (0.50) HCAR3HPGDHSD17B10KDM4EALDH1A1
SCHEMBL1939333 0.75 HCAR3 (0.54) HCAR3HPGDHSD17B10KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738628-B2 Substituted 1H-indazol-1-OL analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH 2016-10-13 US disclosed
US-9284299-B2 Substituted 1H-indazol-1-ol analogs as inhibitors of beta catenin/Tcf protein-protein interactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-03-15 US disclosed
US-20150025114-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-01-22 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 (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-20150025114-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, CTNNA1 HCAR3 4420/4885HPGD 3616/4885HSD17B10 2294/4885
US-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, CTNNA1 HCAR3 4420/4885HPGD 3616/4885HSD17B10 2294/4885

“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.