SCHEMBL3373757

SCHEMBL3373757

CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)Oc1cccc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.43
HTR1B P28222 2/20 0.42
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
ADRB3 P13945 2/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
ALOX15 P16050 1/20 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
SCHEMBL13337351 0.78 HTR1A (0.43) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL29992666 0.78 RHEB (0.45) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL3034603 0.78 RHEB (0.45) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL13309274 0.77 HTR1B (0.52) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL13003014 0.74 HTR1A (0.50) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL6030255 0.74 BCHE (0.40) HTR1AHTR1BDRD4DRD3RHEB
SCHEMBL3373828 0.74 HTR1A (0.48) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL3794323 0.71 HTR1B (0.55) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL15902673 0.70 SLC6A4 (0.40) HTR1AHTR1B
SCHEMBL3376891 0.70 ADRB2 (0.34) HTR1AADRB2ADRB1OPRK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 EP disclosed
EP-1757585-B1 Anionically substituted 7-Nitroindoline derivatives and their uses MEDICAL RES COUNCIL (GB) 2010-12-01 EP disclosed
US-7737169-B2 Anionically substituted 7-nitroindoline derivatives and their uses MEDICAL RESEARCH COUNCIL (GB) 2010-06-15 US disclosed
US-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses UNITED KINGDOM RESEARCH AND INNOVATION (GB) 2007-08-30 US disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 EP disclosed
EP-1757585-A1 Anionically substituted 7-Nitroindoline derivatives and their uses Medical Research Council (GB) 2007-02-28 EP 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-20070203099-A1 Anionically substituted 7-nitroindoline derivatives and their uses SLC18A3, SLC18A1, SLC18A2 HTR1A 155/4885HTR1B 103/4885ADRB2 191/4885

“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.