SCHEMBL16153993

SCHEMBL16153993

CC1=C(c2nc(-c3ccc(Cl)cc3)nn2C)C(=O)NC1(C)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 4/20 0.46
NR1H2 P55055 3/20 0.46
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
TDP2 O95551 3/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
S1PR2 O95136 1/20 0.44
S1PR4 O95977 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RAF1 P04049 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 1/20 0.44

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
SCHEMBL16145392 0.89 NR1H3 (0.44) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL14691676 0.77 NR1H3 (0.50) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL14690502 0.73 NR1H2 (0.45) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL16153987 0.72 NR1H3 (0.44) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL14691803 0.70 NR1H3 (0.50) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL16153990 0.70 NR1H3 (0.42) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL16153982 0.70 NR1H3 (0.49) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL16153976 0.69 NR1H3 (0.51) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL16153981 0.69 NR1H3 (0.48) NR1H3NR1H2RAB9ASMN1; SMN2NPC1
SCHEMBL16153992 0.69 NR1H2 (0.41) NR1H3NR1H2RAB9ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.