SCHEMBL16632290

SCHEMBL16632290

c1ccc(Cn2c(-c3ccc4ccccc4c3)cc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.53
ESR1 P03372 7/20 0.52
CCR2 P41597 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.48
BACE1 P56817 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.44
CYP19A1 P11511 1/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6190846 0.90 PTGS2 (0.67) PTGS2ESR1CCR2L3MBTL1BACE1
SCHEMBL4887683 0.87 L3MBTL1 (0.61) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL28405047 0.85 CCR2 (0.52) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL6085556 0.79 PTGS2 (0.78) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL6086162 0.78 PTGS2 (0.71) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL5357551 0.78 ESR1 (0.49) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL5359543 0.78 ESR1 (0.49) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL28384928 0.78 CCR2 (0.64) PTGS2ESR1CCR2L3MBTL1ALDH1A1
SCHEMBL2823906 0.77 L3MBTL1 (0.57) PTGS2ESR1CCR2L3MBTL1BACE1
SCHEMBL16632275 0.76 ALDH1A1 (0.47) PTGS2L3MBTL1BACE1ALDH1A1KMT2A

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-9206124-B2 Treatment of drug-resistant cancer with 2-aryl-2-(3-indolyl) acetohydroxamates NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2015-04-16 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-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 PTGS2 2610/4885ESR1 3124/4885CCR2 165/4885

“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.