SCHEMBL4234656

SCHEMBL4234656

CCCCN1CCCCC1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
LTA4H P09960 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MGLL Q99685 2/20 0.40
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
FAAH O00519 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4229151 0.80 SCN1A (0.47) HRH3ALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL10425923 0.78 CHRNB4 (0.54) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7392194 0.78 MAOB (0.44) HRH3LTA4HCYP1A2CYP2D6KMT2A
Hydrochloric Acid SCHEMBL10426292 0.77 CHRNB4 (0.53) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL7367095 0.77 NR5A1 (0.43) LTA4HSIGMAR1
SCHEMBL4687709 0.77 MAOA (0.52) HRH3LTA4HPTGS1PTGS2KDM4E
SCHEMBL7403861 0.77 KMT2A (0.44) HRH3LTA4HALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7403380 0.77 MAOB (0.43) HRH3LTA4HCYP1A2CYP2D6KCNH2
SCHEMBL7398553 0.76 KCNH2 (0.43) LTA4HCYP2D6KCNH2
Hydrochloric Acid SCHEMBL7397296 0.76 KMT2A (0.43) HRH3LTA4HALDH1A1CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 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-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R HRH3 210/4885LTA4H 1731/4885PTGS1 1889/4885

“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.