SCHEMBL2223385

SCHEMBL2223385

COc1ccc(CNC(=O)CCl)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 2/20 0.59
APLNR P35414 1/20 0.59
POLB P06746 1/20 0.58
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
HPGD P15428 2/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL29128695 0.90 POLB (0.56) ALDH1A1SMN1; SMN2HTTAPLNRPOLB
SCHEMBL10915036 0.87 CNR1 (0.61) ALDH1A1HTTAPLNRPOLBCNR1
SCHEMBL24499498 0.85 APLNR (0.59) ALDH1A1SMN1; SMN2HTTAPLNRPOLB
SCHEMBL29209631 0.85 APLNR (0.59) ALDH1A1HTTAPLNRPOLBCNR1
SCHEMBL2226085 0.85 APLNR (0.59) ALDH1A1HTTAPLNRPOLBCNR1
SCHEMBL18415441 0.84 TAS1R3 (0.67) ALDH1A1HTTAPLNRPOLBCNR1
SCHEMBL23120886 0.83 CNR1 (0.58) ALDH1A1SMN1; SMN2APLNRPOLBCNR1
SCHEMBL10141758 0.83 APLNR (0.65) ALDH1A1HTTAPLNRPOLBCNR1
SCHEMBL2261220 0.83 APLNR (0.65) ALDH1A1HTTAPLNRPOLBCNR1
SCHEMBL23139885 0.83 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTAPLNRPOLB

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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 (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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885SMN1; SMN2 4086/4885HTT 2128/4885

“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.