SCHEMBL9178559

SCHEMBL9178559

COc1c[nH]c(C)cc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HMBS P08397 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
APP P05067 1/20 0.37
PDE3B Q13370 3/20 0.37
PDE3A Q14432 3/20 0.37
NQO2 P16083 2/20 0.37
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
GLA P06280 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
SCHEMBL104381 0.78 PTPN1 (0.34) HMBSALDH1A1HPGDKMT2AMEN1
SCHEMBL12090766 0.75 DAO (0.42) HDAC4HDAC8GRIN2DGRIN3BGRIN1
SCHEMBL15764334 0.74 BAZ2B (0.51) ALDH1A1KMT2AGAAMEN1GLA
SCHEMBL15764332 0.74 CA12 (0.44) ALDH1A1HPGDGAAGLANOTUM
SCHEMBL18715211 0.74 MAPT (0.40) HDAC4HDAC8GRIN2DGRIN3BGRIN1
SCHEMBL2438835 0.73 NPC1 (0.50) HDAC8APPKMT2AMEN1POLB
SCHEMBL11259706 0.71 L3MBTL1 (0.46) ALDH1A1HPGDGLANOTUMPOLB
SCHEMBL19789312 0.71 NQO2 (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1627128 0.71 NR4A2 (0.50) ALDH1A1HPGDKMT2AGAAGLA
SCHEMBL8404473 0.70

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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
US-5399566-A Hypotensive MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-21 US disclosed
EP-0487745-A1 PYRIDINE DERIVATIVE WITH ANGIOTENSIN II ANTAGONISM MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-06-03 EP 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-20250388543-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN8A, SCN1B, SCN3A HDAC4 1595/4885HDAC8 252/4885GRIN2D 394/4885

“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.