SCHEMBL1465547

SCHEMBL1465547

O=Cc1cccc(F)c1Sc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.47
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
NFE2L2 Q16236 5/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1467048 0.88 ERN1 (0.46) ERN1LMNAKMT2AMEN1THRB
SCHEMBL6759540 0.85 ERN1 (0.47) ERN1LMNAKMT2AMEN1THRB
SCHEMBL7274225 0.76 CA12 (0.45) ERN1LMNAKMT2AMEN1CA12
SCHEMBL30605883 0.75 CA12 (0.44) ERN1LMNAKMT2AMEN1THRB
SCHEMBL16495354 0.75 ERN1 (0.51) ERN1LMNAKMT2ATDP1CA1
SCHEMBL18255782 0.72 CA12 (0.40) LMNAKMT2AMEN1TDP1CA12
SCHEMBL3968071 0.71 MAOA (0.41) ERN1LMNAKMT2AMEN1THRB
SCHEMBL20465749 0.71
SCHEMBL87096 0.71
SCHEMBL29540911 0.71

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
US-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-08-29 US disclosed
US-8394836-B2 Indoles and their therapeutic use PULMAGEN THERAPEUTICS (ASTHMA) LIMITED (GB) 2013-03-12 US disclosed
EP-2327693-A1 Indoles and their therapeutic use Pulmagen Therapeutics (Asthma) Limited (GB) 2011-06-01 EP disclosed
US-20110071175-A1 Indoles and Their Therapeutic Use GB005, INC. 2011-03-24 US disclosed
CN-101970405-A Indoles and their therapeutic use PULMAGEN THERAPEUTICS ASTHMA L 2011-02-09 CN disclosed
EP-2229358-A1 INDOLES AND THEIR THERAPEUTIC USE Pulmagen Therapeutics (Asthma) Limited (GB) 2010-09-22 EP disclosed
WO-2009077728-A1 INDOLES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2009-06-25 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-20130225617-A1 INDOLES AND THEIR THERAPEUTIC USE IDO2, IDO1, RORB ERN1 3615/4885LMNA 4560/4885KMT2A 2716/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 ERN1 3318/4885LMNA 4764/4885KMT2A 3786/4885

“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.