SCHEMBL1713655

SCHEMBL1713655

COc1ccc(CNc2ccc(I)cn2)cc1OC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.51
RECQL P46063 1/20 0.48
PDE4A P27815 10/20 0.44
PDE4B Q07343 8/20 0.44
PDE4C Q08493 5/20 0.44
PDE4D Q08499 5/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.41

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
SCHEMBL1713815 0.82 PDE4A (0.57) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL7940449 0.80 RECQL (0.55) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL309631 0.78 TPH1 (0.51) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL307931 0.78 TPH1 (0.49) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL308215 0.77 TPH1 (0.49) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL7937862 0.77 RECQL (0.52) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL23260728 0.76 MEN1 (0.56) TPH1MEN1KMT2A
SCHEMBL13317191 0.76 RECQL (0.61) RECQLPDE4APDE4BPDE4CPDE4D
SCHEMBL7422660 0.75 PDE4B (0.49) TPH1RECQLPDE4APDE4BPDE4C
SCHEMBL7424560 0.75 RECQL (0.49) TPH1RECQLPDE4APDE4BPDE4C

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
CN-102186476-A Tryptophan hydroxylase inhibitors and methods of their use LEXICON PHARMACEUTICALS INC 2011-09-14 CN disclosed
EP-2344160-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-07-20 EP disclosed
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US disclosed
WO-2010039957-A1 TRYPTOPHAN HYDROXYLASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2010-04-08 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-20100087433-A1 Methods of inhibiting tryptophan hydroxylase TPH1, TPH2, HNMT TPH1 1/4885RECQL 1002/4885PDE4A 950/4885

“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.