SCHEMBL31429940

SCHEMBL31429940

N#Cc1ccc(C=NNc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.67
MAPT P10636 9/20 0.63
GAA P10253 8/20 0.63
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
ALDH1A1 P00352 5/20 0.63
KDM4E B2RXH2 5/20 0.63
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
RAB9A P51151 6/20 0.62
HPGD P15428 3/20 0.62
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.46
DDX3X O00571 1/20 0.45

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
SCHEMBL21626722 0.86 GAA (0.59) NOX1MAPTGAAKMT2AMEN1
SCHEMBL11388174 0.85 NOX1 (0.91) NOX1MAPTGAAKMT2AMEN1
SCHEMBL11388177 0.85 NOX1 (0.91) NOX1MAPTGAAKMT2AMEN1
SCHEMBL13890516 0.83 MAPT (0.63) NOX1MAPTGAAKMT2AMEN1
SCHEMBL13875561 0.82 NOX1 (0.61) NOX1MAPTGAAKMT2AMEN1
SCHEMBL22874080 0.81 NOX1 (1.00) NOX1MAPTGAAKMT2AMEN1
SCHEMBL42160 0.81 NOX1 (1.00) NOX1MAPTGAAKMT2AMEN1
SCHEMBL42159 0.81 NOX1 (1.00) NOX1MAPTGAAKMT2AMEN1
SCHEMBL13187300 0.80 NPC1 (0.70) MAPTGAAKMT2AMEN1ALDH1A1
SCHEMBL14831647 0.80 GAA (0.62) NOX1MAPTGAAKMT2AMEN1

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-20260009142-A1 Electrochemical synthesis of pyrazolines and pyrazoles BAYER AG (DE) 2026-01-08 US disclosed
CN-119698496-A Electrochemical synthesis of pyrazolines and pyrazoles 拜耳公司 2025-03-25 CN 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-20260009142-A1 Electrochemical synthesis of pyrazolines and pyrazoles CYP2E1, CYP2F1, CYP4F2 NOX1 280/4885MAPT 4836/4885GAA 3100/4885

“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.