SCHEMBL463613

SCHEMBL463613

O=[N+]([O-])c1ccc(C(F)F)cc1/C=C/N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.40
ALDH1A1 P00352 9/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 3/20 0.39
CYP3A4 P08684 1/20 0.39
ALDH1A3 P47895 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSB P07858 1/20 0.37
AR P10275 1/20 0.37
APP P05067 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL438423 0.79 LMNA (0.60) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL405824 0.79 TSHR (0.49) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL405334 0.79 ALDH1A1 (0.43) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL406583 0.79 LMNA (0.60) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL12246126 0.78 MAPT (0.44) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL8533307 0.76 ALDH1A1 (0.62) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL6194046 0.76 ALDH1A1 (0.62) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL30603181 0.76 ALDH1A1 (0.62) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL618724 0.76 TDP1 (0.44) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1
SCHEMBL621774 0.76 TDP1 (0.44) MAPTALDH1A1CYP1A2CYP2C19L3MBTL1

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 MAPT 2336/4885ALDH1A1 1909/4885CYP1A2 2609/4885

“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.