SCHEMBL20445310

SCHEMBL20445310

COc1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)cc1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 6/20 0.72
NOX1 Q9Y5S8 2/20 0.62
CYP1A1 P04798 2/20 0.59
CYP1B1 Q16678 2/20 0.59
GUSB P08236 1/20 0.59
MAPT P10636 5/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
LMNA P02545 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
GAA P10253 2/20 0.57
MGAM O43451 1/20 0.57
SI P14410 1/20 0.57
MGAM2 Q2M2H8 1/20 0.57

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
Hydrochloric Acid SCHEMBL23736189 0.99 SMPD3 (0.70) SMPD3NOX1CYP1A1CYP1B1GUSB
SCHEMBL27662258 0.88 SMPD3 (0.73) SMPD3NOX1GUSBMAPTMEN1
SCHEMBL8088592 0.87 NOX1 (0.81) SMPD3NOX1CYP1A1CYP1B1GUSB
SCHEMBL18292680 0.78 NOX1 (0.78) SMPD3NOX1MAPTMEN1KMT2A
SCHEMBL7143433 0.77 MAPT (0.64) SMPD3NOX1GUSBMAPTMEN1
SCHEMBL31305589 0.76 NPY5R (0.68) SMPD3NOX1MEN1KMT2AGAA
SCHEMBL20445309 0.76 SMPD3 (0.61) SMPD3NOX1GUSBMAPTMEN1
SCHEMBL724250 0.76 NPY5R (0.72) SMPD3NOX1MAPTMEN1KMT2A
SCHEMBL9425243 0.76 NOX1 (0.58) SMPD3NOX1CYP1A1CYP1B1CYP1A2
SCHEMBL5131089 0.76 SMPD3 (0.56) SMPD3NOX1MAPTTP53THRB

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
EP-3573957-B1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS RIVARA MIRKO (IT) 2023-04-26 EP disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
WO-2018140504-A1 COMPOSITIONS AND METHODS FOR BLOCKING SODIUM CHANNELS PATEL MANOJ K (US) 2018-08-02 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B SMPD3 203/4885NOX1 1365/4885CYP1A1 2779/4885

“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.