SCHEMBL14690452

SCHEMBL14690452

Cn1nc(-c2ccc(Cl)cc2)nc1C1=C(O)C2CCCCN2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.44
▸ NR1H3 Q13133 2/20 0.44
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ S1PR2 O95136 1/20 0.42
▸ TDP2 O95551 1/20 0.42
▸ S1PR4 O95977 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ S1PR1 P21453 1/20 0.42

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
SCHEMBL16154007 0.84 NR1H3 (0.48) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16156457 0.81 LMNA (0.38) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16153988 0.80 NR1H2 (0.36) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16153981 0.76 NR1H3 (0.48) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16153980 0.73 TDP2 (0.49) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL14691803 0.71 NR1H3 (0.50) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16153982 0.70 NR1H3 (0.49) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16153984 0.69 NR1H3 (0.44) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16145392 0.69 NR1H3 (0.44) NR1H2NR1H3MEN1KMT2AALDH1A1
SCHEMBL16145043 0.68 NR1H3 (0.49) NR1H2NR1H3MEN1KMT2AALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742030-B1 1,2,4-TRIAZOLYL-SUBSTITUTED KETOENOLS FOR USE IN PLANT PROTECTION BAYER IP GMBH (DE) 2016-07-27 — — EP disclosed
EP-2742030-B1 1,2,4-TRIAZOLYL-SUBSTITUTED KETOENOLS FOR USE IN PLANT PROTECTION BAYER IP GMBH (DE) 2016-07-27 — — EP disclosed
US-9198432-B2 1,2,4-triazolyl-substituted ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-9198432-B2 1,2,4-triazolyl-substituted ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-9198432-B2 1,2,4-triazolyl-substituted ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-01 — — US disclosed
US-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 — — US disclosed
US-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 — — US disclosed
US-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-09 — — US disclosed
EP-2742030-A1 1,2,4-TRIAZOLYL-SUBSTITUTED KETO-ENOLS Bayer Intellectual Property GmbH (DE) 2014-06-18 — — EP disclosed
WO-2013021044-A1 1,2,4-TRIAZOLYL-SUBSTITUTED KETO-ENOLS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 — — 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-20140302988-A1 1,2,4-Triazolyl-Substituted Ketoenols PIKFYVE, PHYKPL, KCNE1 NR1H2 2368/4885NR1H3 1852/4885MEN1 4689/4885

“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.

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