SCHEMBL18114530

SCHEMBL18114530

Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3C)ccc2n1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 8/20 0.89
PIR O00625 6/20 0.89
BRAF P15056 2/20 0.89
GSK3B P49841 1/20 0.60
ALDH1A1 P00352 6/20 0.59
RAB9A P51151 5/20 0.59
NPC1 O15118 5/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
CASP3 P42574 2/20 0.59
SENP7 Q9BQF6 2/20 0.59
HPGD P15428 2/20 0.59
SENP6 Q9GZR1 1/20 0.59
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
PKM P14618 1/20 0.57
POLB P06746 1/20 0.56

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
SCHEMBL16621105 0.94 HSF1 (1.00) HSF1PIRBRAFGSK3BALDH1A1
SCHEMBL16621292 0.92 HSF1 (0.93) HSF1PIRBRAFGSK3BRAB9A
SCHEMBL18114484 0.87 HSF1 (0.77) HSF1PIRBRAFGSK3BALDH1A1
SCHEMBL18114477 0.86 HSF1 (0.89) HSF1PIRBRAFGSK3BRAB9A
SCHEMBL16620937 0.86 HSF1 (0.89) HSF1PIRBRAFGSK3BALDH1A1
SCHEMBL18114506 0.85 HSF1 (0.90) HSF1PIRBRAFGSK3BRAB9A
SCHEMBL16621372 0.85 HSF1 (0.84) HSF1PIRBRAFGSK3BALDH1A1
SCHEMBL16621413 0.85 HSF1 (0.79) HSF1PIRBRAFGSK3BALDH1A1
SCHEMBL16621379 0.84 HSF1 (0.82) HSF1PIRBRAFGSK3BRAB9A
SCHEMBL16621471 0.84 HSF1 (0.82) HSF1PIRBRAFGSK3BRAB9A

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
EP-3283484-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-21 EP claimed
WO-2016156872-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 WO claimed
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2020-05-12 US disclosed
US-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-04-05 US disclosed
EP-3283484-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2018-02-21 EP disclosed
WO-2016156872-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 WO disclosed
WO-2016156872-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-10-06 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 (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-20180093955-A1 QUINOLINE DERIVATIVES AS INHIBITORS OF HEAT SHOCK FACTOR 1 PATHWAY ACTIVITY HSF1, HSP90AB1, HSP90AB2P HSF1 1/4885PIR 3689/4885BRAF 329/4885
US-10647678-B2 Quinoline derivatives as inhibitors of heat shock factor 1 pathway activity HSF1, HSP90AB1, HSP90AB2P HSF1 1/4885PIR 3689/4885BRAF 329/4885

“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.