SCHEMBL18152401

SCHEMBL18152401

NC(=O)c1ccc(CCCO)c(-c2ccc(F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.46
CHEK2 O96017 3/20 0.41
CA2 P00918 1/20 0.40
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
PARP1 P09874 1/20 0.39
AR P10275 1/20 0.39
MAOB P27338 1/20 0.38
PARP10 Q53GL7 1/20 0.38
ACLY P53396 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
GRM2 Q14416 2/20 0.37
MPO P05164 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAP4K4 O95819 1/20 0.37
GAK O14976 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37

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
SCHEMBL18152509 0.90 PTGS1 (0.45) PTGS1CHEK2PARP1ARMAOB
SCHEMBL20021930 0.89 MPL (0.47) PTGS1CHEK2RARBAR
SCHEMBL18152554 0.83 PTGS1 (0.40) PTGS1CHEK2PARP1ARMAOB
SCHEMBL18152339 0.82 PTGS1 (0.48) PTGS1CHEK2PARP1ARMAOB
Hydrochloric Acid SCHEMBL18152459 0.82 PTGS1 (0.48) PTGS1CHEK2PARP1ARMAOB
Hydrochloric Acid SCHEMBL30460805 0.79 CA2 (0.55) CHEK2CA2PARP1MAOBPARP10
SCHEMBL18152492 0.79 GRM2 (0.39) PTGS1ARACLYGRM2MKNK2
SCHEMBL18152491 0.78 HTR2A (0.37) PTGS1CHEK2CA2MAP4K4MKNK2
SCHEMBL18165202 0.77 PSMD10 (0.41) PTGS1GRM2
SCHEMBL18152340 0.76 PTGS1 (0.42) PTGS1CHEK2PARP1ARMAOB

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-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-04-05 US disclosed
US-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-04-05 US disclosed
WO-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-10-20 WO disclosed
WO-2016168524-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (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 (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-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS BCL9, BCL9L, BCL3 PTGS1 4219/4885CHEK2 3638/4885CA2 4086/4885

“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.