SCHEMBL696544

SCHEMBL696544

C/C(=N\O)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CA9 Q16790 3/20 0.36
KDM4E B2RXH2 5/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 5/20 0.34
LMNA P02545 5/20 0.34
HPGD P15428 3/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL697998 1.00 GFER (0.38) GFERCASP3SENP8SENP7SENP6
SCHEMBL6970352 0.79 L3MBTL1 (0.39) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL696078 0.79 L3MBTL1 (0.39) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL696077 0.79 L3MBTL1 (0.39) MAPTLMNARAB9ANPC1SMN1; SMN2
SCHEMBL6962204 0.75 KDM1A (0.38) GFERPOLBLMNARAB9ACYP2C19
SCHEMBL6962199 0.75 KDM1A (0.38) GFERPOLBLMNARAB9ACYP2C19
Water SCHEMBL4312372 0.75 LMNA (0.50) GFERCASP3SENP8SENP7SENP6
SCHEMBL695780 0.74 L3MBTL1 (0.36) LMNARAB9ANPC1SMN1; SMN2HTT
SCHEMBL695964 0.74 LMNA (0.47) MAPTLMNAHPGDRAB9ANPC1
SCHEMBL6345644 0.74 L3MBTL1 (0.36) LMNARAB9ANPC1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770027-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2017-09-26 US disclosed
US-20150351403-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2015-12-10 US disclosed
US-9150565-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2015-10-06 US disclosed
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-07-24 US disclosed
US-8759527-B2 Heteroarylpiperidine and -piperazine derivatives as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-24 US disclosed
EP-2423210-A1 Heteroarylpiperidine and heteroarylpiperazine derivatives as fungicides Bayer CropScience AG (DE) 2012-02-29 EP 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 (2 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-20150351403-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 GFER 1842/4885CASP3 655/4885SENP8 4765/4885
US-20140206646-A1 Heteroarylpiperidine and -piperazine derivatives as fungicides CYP1A1, PRXL2A, CYP1A2 GFER 1842/4885CASP3 655/4885SENP8 4765/4885

“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.