SCHEMBL16153994

SCHEMBL16153994

CC1NC(=O)C(c2nc(-c3ccc(Cl)cc3)nn2C)=C1OC(=O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 2/20 0.42
NR1H2 P55055 1/20 0.42
RAB9A P51151 5/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
TDP2 O95551 2/20 0.40
MEN1 O00255 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR4 O95977 1/20 0.40
RAF1 P04049 1/20 0.40
THRB P10828 1/20 0.40
S1PR1 P21453 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL14691803 0.80 NR1H3 (0.50) NR1H3NR1H2RAB9AMAPTSMN1; SMN2
SCHEMBL16153987 0.69 NR1H3 (0.44) NR1H3NR1H2RAB9AMAPTSMN1; SMN2
SCHEMBL14432182 0.67 NPC1 (0.31) RAB9ANPC1ALDH1A1KMT2AMAP2K1
SCHEMBL14691676 0.67 NR1H3 (0.50) NR1H3NR1H2RAB9AMAPTSMN1; SMN2
SCHEMBL12703009 0.67 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1POLBLMNAACHE
SCHEMBL16153990 0.67 NR1H3 (0.42) NR1H3NR1H2RAB9AMAPTSMN1; SMN2
SCHEMBL12270015 0.66 MAP2K1 (0.32) RAB9ANPC1ALDH1A1RAF1RECQL
SCHEMBL16153976 0.66 NR1H3 (0.51) NR1H3NR1H2RAB9AMAPTSMN1; SMN2
SCHEMBL13097121 0.65 GRM4 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16145392 0.65 NR1H3 (0.44) NR1H3NR1H2RAB9AMAPTSMN1; SMN2

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 5 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
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

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 NR1H3 1852/4885NR1H2 2368/4885RAB9A 4374/4885

“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.