SCHEMBL1713312

SCHEMBL1713312

CC(C)Oc1ccc(CNc2cncc(Br)c2)cc1OC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
PKM P14618 1/20 0.36
PDE4B Q07343 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
P2RX3 P56373 1/20 0.35
MAPK1 P28482 1/20 0.34
KCNH2 Q12809 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL3278785 0.80 KCNH2 (0.37) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL1714163 0.78 FYN (0.47) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL13402543 0.76 KCNH2 (0.35) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL13402306 0.76 KCNH2 (0.35) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL22191720 0.74 MAPT (0.63) MAPTL3MBTL1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1714099 0.73 ALPL (0.48) MAPTSMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL308600 0.73 RECQL (0.48) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL4143234 0.72 MAPK1 (0.46) ALDH1A1GAAKMT2AMAPK1
SCHEMBL4148520 0.72 MEN1 (0.48) MAPTMEN1KMT2AKCNH2
SCHEMBL22191439 0.72 KDM4E (0.46) KDM4EALDH1A1KCNH2

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 MAPT 1941/4885L3MBTL1 1959/4885SMN1; SMN2 2227/4885

“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.