SCHEMBL31338769

SCHEMBL31338769

OCc1cc(F)c(F)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP4F2 P78329 2/20 0.32
CYP4A11 Q02928 2/20 0.32
KIF11 P52732 1/20 0.32
EPAS1 Q99814 1/20 0.31
P2RX7 Q99572 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL391375 0.83 ACHE (0.46) ACHETSHRCYP4F2CYP4A11KIF11
SCHEMBL31614959 0.80 ACHE (0.36) ACHECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL31338758 0.79 CYP1A2 (0.31) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL22400323 0.78 ACHE (0.34) ACHEALOX15TSHRHSD17B10CYP4F2
SCHEMBL16396632 0.78 ACHE (0.34) ACHEALOX15TSHRHSD17B10CYP4F2
SCHEMBL855473 0.78 ACHE (0.42) ACHETSHRCYP4F2CYP4A11KIF11
SCHEMBL31338761 0.76 TAAR1 (0.41) CYP2D6ALOX15HSD17B10
SCHEMBL31063117 0.74 HSD17B10 (0.49) ALOX15TSHRHSD17B10CYP4F2CYP4A11
SCHEMBL604198 0.73 CYP1A2 (0.51) CYP1A2CYP2D6CYP2C9CYP2C19NPSR1
SCHEMBL671459 0.73 CES2 (0.30) CES2CES1

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-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors UNIV NORTHWESTERN (US) 2025-05-29 US disclosed
US-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2025-03-04 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 (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-12240815-B2 Potent and selective human neuronal nitric oxide synthase inhibitors NOS2, NOS1, NOS3 ACHE 19/4885CYP1A2 365/4885CYP2D6 1171/4885
US-20250171402-A1 Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 ACHE 19/4885CYP1A2 365/4885CYP2D6 1171/4885

“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.