SCHEMBL14729684

SCHEMBL14729684

CCCCOc1cc(Cl)nnc1OCCCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ESR1 P03372 1/20 0.35
BACE1 P56817 1/20 0.35
POLB P06746 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
SCHEMBL14729723 0.75 GAA (0.39) ALDH1A1L3MBTL1LMNANPSR1CYP1A2
SCHEMBL14729687 0.75 CNR2 (0.35) SMN1; SMN2GLAL3MBTL1CYP1A2CYP2C9
SCHEMBL7799554 0.74 SMN1; SMN2 (0.54) SMN1; SMN2GLAALDH1A1L3MBTL1TSHR
SCHEMBL25880792 0.74 ENPP1 (0.43) SMN1; SMN2ALDH1A1L3MBTL1TLR8TP53
SCHEMBL22042604 0.74 FLT1 (0.36) SMN1; SMN2ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL16234173 0.74 GLA (0.42) SMN1; SMN2GLATSHRBACE1POLB
SCHEMBL16234210 0.73 PRKCE (0.34) SMN1; SMN2ALDH1A1L3MBTL1LMNACYP1A2
SCHEMBL14729686 0.73 CYP1A2 (0.41) SMN1; SMN2ALDH1A1L3MBTL1TSHRLMNA
SCHEMBL16234188 0.73 PRKCE (0.42) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL16234180 0.72 PRKCE (0.36) SMN1; SMN2ALDH1A1TSHRLMNACYP1A2

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
EP-2748149-B9 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICALS CO (JP) 2017-11-15 EP disclosed
US-20170173007-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-22 US disclosed
US-9290456-B2 Pyridazinone compounds and their use as DAAO inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-22 US disclosed
EP-2748149-B1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-10-21 EP disclosed
US-20150030704-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 US disclosed
WO-2013027000-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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 (3 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 SMN1; SMN2 1317/4885GLA 2425/4885ALDH1A1 166/4885
US-20150030704-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS PNPO, DAO, DPYD SMN1; SMN2 2053/4885GLA 951/4885ALDH1A1 54/4885
US-20170173007-A1 PYRIDAZINONE COMPOUNDS AND THEIR USE AS DAAO INHIBITORS PNPO, DAO, DPYD SMN1; SMN2 2053/4885GLA 951/4885ALDH1A1 54/4885

“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.