SCHEMBL1714099

SCHEMBL1714099

COc1cc(CNc2cncc(-c3ccoc3)c2)ccc1OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 3/20 0.48
FYN P06241 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
KCNH2 Q12809 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE4B Q07343 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
USP2 O75604 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37

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
SCHEMBL1714163 0.95 FYN (0.47) ALPLFYNHDAC1HDAC2KCNH2
SCHEMBL13384094 0.81 PDE4A (0.47) ALPLFYNHDAC1HDAC2KCNH2
SCHEMBL4187573 0.78 FYN (0.61) ALPLFYNHDAC1HDAC2KCNH2
SCHEMBL4189065 0.78 ALDH1A1 (0.56) KCNH2ALDH1A1MAPTPOLBGAA
SCHEMBL1714000 0.77 FYN (0.55) ALPLFYNKCNH2ALDH1A1MAPT
SCHEMBL3278785 0.76 KCNH2 (0.37) FYNKCNH2ALDH1A1MAPTPOLB
SCHEMBL4191630 0.76 ALDH1A1 (0.53) ALPLKCNH2ALDH1A1MAPTPOLB
SCHEMBL4155473 0.74 ALDH1A1 (0.51) FYNKCNH2ALDH1A1MAPTPOLB
SCHEMBL13402543 0.73 KCNH2 (0.35) FYNKCNH2ALDH1A1MAPTPOLB
SCHEMBL1713312 0.73 MAPT (0.39) KCNH2ALDH1A1MAPTPOLBGAA

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 7 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
US-20100087433-A1 Methods of inhibiting tryptophan hydroxylase LEXICON PHARMACEUTICALS, INC. 2010-04-08 US 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
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 ALPL 1330/4885FYN 2563/4885HDAC1 1157/4885

“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.