SCHEMBL18136160

SCHEMBL18136160

c1cc2c(cc1NCC1=NCCN1)CCC2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
NISCH Q9Y2I1 1/20 0.57
ADRA2C P18825 8/20 0.56
ADRA2B P18089 7/20 0.56
ADRA2A P08913 6/20 0.56
ADRA1A P35348 8/20 0.50
ADRA1B P35368 6/20 0.50
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 2/20 0.44
ALOX15 P16050 1/20 0.44
ADRA1D P25100 6/20 0.44
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL16406877 0.79 ADRA2C (0.48) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL11259524 0.77 MAOA (0.60) MAOAMAOBNISCHADRA2CADRA2B
Hydrochloric Acid SCHEMBL11254132 0.75 MAOA (0.59) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL16406875 0.75 TAAR1 (0.57) ADRA2CADRA2BADRA2AADRA1AADRA1B
SCHEMBL16406872 0.75 ALDH1A1 (0.48) ADRA2CADRA2BADRA2AALDH1A1MAPT
SCHEMBL6772171 0.75 ADRA2A (0.94) ADRA2CADRA2BADRA2AADRA1AADRA1B
SCHEMBL15378775 0.74 MAOA (0.57) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL18330525 0.74 MAOA (0.71) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL3173010 0.74 MAOA (0.71) MAOAMAOBNISCHADRA2CADRA2B
SCHEMBL16406873 0.74 MAOA (0.55) MAOAMAOBNISCHADRA2CADRA2B

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20160297801-A1 SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS CTNNB1, CTNNBL1, CTNNA1 MAOA 4613/4885MAOB 4758/4885NISCH 4476/4885

“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.