SCHEMBL3374948

SCHEMBL3374948

CCOC(=O)C(Oc1cccc2[nH]ccc12)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.46
HTR1B P28222 2/20 0.45
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
ADRB3 P13945 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
THRB P10828 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD4 P21917 1/20 0.44
HTR2C P28335 1/20 0.44

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
SCHEMBL15451246 0.82 HTR1A (0.49) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL3385465 0.81 RHEB (0.45) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL15252019 0.78 F9 (0.49) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL13309274 0.77 HTR1B (0.52) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL3373828 0.77 HTR1A (0.48) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL4236280 0.77 FBP1 (0.47) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL10591822 0.77 HTR1A (0.55) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL10390030 0.77 TSHR (0.51) CYP1A2KDM4ETSHRMAPK1MEN1
SCHEMBL30733595 0.77 HTR1A (0.50) HTR1AHTR1BADRB2ADRB1CYP1A2
SCHEMBL4653785 0.76 HTR1B (0.49) HTR1AHTR1BADRB2ADRB1CYP1A2

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 8 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-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
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.