SCHEMBL7129617

SCHEMBL7129617

N#Cc1cc(C#N)cc(Oc2ccnc(Oc3cc(C#N)cc(C#N)c3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.40
MAP4K4 O95819 2/20 0.39
GRM5 P41594 2/20 0.37
NOS2 P35228 2/20 0.36
HPGDS O60760 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SCN9A Q15858 2/20 0.33
SCN5A Q14524 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
SCHEMBL7077027 0.92 KMT2A (0.43) F10MAP4K4GRM5KCNH2SCN9A
SCHEMBL7130914 0.92 KMT2A (0.43) F10MAP4K4GRM5KCNH2SCN9A
SCHEMBL6579304 0.86 MAP4K4 (0.53) F10MAP4K4GRM5
SCHEMBL7070093 0.86 AR (0.41) F10KDM4E
SCHEMBL7071621 0.84 GRM5 (0.43) MAP4K4GRM5KCNH2SCN9ASCN5A
SCHEMBL7074801 0.79 KCNH2 (0.37) GRM5HPGDSSMN1; SMN2KCNH2KDM4E
SCHEMBL7071599 0.78 MAP4K4 (0.45) F10MAP4K4GRM5
SCHEMBL7075065 0.77 EPAS1 (0.39)
SCHEMBL7074411 0.75 MEN1 (0.50) MAP4K4LMNA
SCHEMBL7074436 0.75 AR (0.47) F10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030181334-A1 Herbicidal method BAYER CROPSCIENCE LIMITED (GB) 2003-09-25 US disclosed
US-6596741-B2 Compounds of formula I exhibit activity as serotonin, norepinephrine, and dopamine reuptake inhibitors and can be used in the treatment of central nervous system and other disorders. PFIZER INC 2003-07-22 US disclosed
WO-2003051119-A1 NEW HERBICIDAL COMPOUNDS AND METHOD BAYER CROPSCIENCE LIMITED (GB) 2003-06-26 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-20030181334-A1 Herbicidal method DDT, HAAO, CYP4X1 F10 4503/4885MAP4K4 4418/4885GRM5 792/4885

“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.