SCHEMBL29293136

SCHEMBL29293136

c1cncc(-c2ccccc2-c2cccc3c2sc2c(-c4ccccc4-c4cccnc4)cccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.50
CYP2A6 P11509 7/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 3/20 0.45
CYP1A2 P05177 2/20 0.45
PTGS2 P35354 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PDE10A Q9Y233 1/20 0.44
DHPS P49366 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP2E1 P05181 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2B6 P20813 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL29293249 0.97 CYP11B1 (0.47) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL29293084 0.95 CYP11B1 (0.46) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL29293019 0.90 CYP11B1 (0.50) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL29293254 0.90 CYP1A2 (0.44) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL29293030 0.90 CYP1A2 (0.44) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL29293139 0.89 PTGS2 (0.49) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2
SCHEMBL29293251 0.89 CYP11B1 (0.44) CYP11B1ALDH1A1CYP3A4CYP1A2MAPT
SCHEMBL29294233 0.88 CYP11B1 (0.40) CYP11B1ALDH1A1CYP3A4CYP1A2PTGS2
SCHEMBL29293180 0.88 CYP11B1 (0.49) CYP11B1CYP2A6ALDH1A1CYP1A2PTGS2
SCHEMBL29293147 0.87 CYP1A2 (0.42) CYP11B1CYP2A6ALDH1A1CYP3A4CYP1A2

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-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 US disclosed
US-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same P&H TECH CO., LTD (KR) 2024-07-11 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-20240228470-A1 Organic Compound And Organic Light Emitting Device Including Same OR10J3, ORMDL3, OR51E2 CYP11B1 1292/4885CYP2A6 1839/4885ALDH1A1 249/4885

“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.