SCHEMBL1465849

SCHEMBL1465849

CC(C)(C)[Si](C)(C)OCc1ccccc1S

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
IDO1 P14902 4/20 0.33
TACR1 P25103 1/20 0.33
TOP2A P11388 1/20 0.32
DUT P33316 2/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL21587953 0.79 BACE1 (0.44) BACE1IDO1
SCHEMBL2750402 0.79 BACE1 (0.47) BACE1IDO1TACR1DUT
SCHEMBL3940682 0.79 BACE1 (0.44) BACE1IDO1
SCHEMBL7922813 0.79 BACE1 (0.44) BACE1IDO1TACR1DUTHTT
SCHEMBL3408685 0.79 IDO1 (0.53) BACE1IDO1HTT
SCHEMBL6438766 0.79 IDO1 (0.53) BACE1IDO1TACR1DUTHTT
SCHEMBL31371104 0.79 IDO1 (0.53) BACE1IDO1
SCHEMBL2769611 0.79 IDO1 (0.53) BACE1IDO1
SCHEMBL7134633 0.77 BACE1 (0.43) BACE1IDO1TACR1DUTHTT
SCHEMBL13577115 0.77 BACE1 (0.43) BACE1TACR1HTT

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-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

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 BACE1 2080/4885IDO1 2/4885TACR1 120/4885
US-20110071175-A1 Indoles and Their Therapeutic Use FPR3, HRH2, HRH4 BACE1 3264/4885IDO1 89/4885TACR1 83/4885

“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.