SCHEMBL22097073

SCHEMBL22097073

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4c(c3)c3ccccc3c3cc5sc6ccccc6c5cc43)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
CLK4 Q9HAZ1 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP11B1 P15538 2/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP11B2 P19099 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GBA1 P04062 1/20 0.39
LIMK1 P53667 1/20 0.38
PIK3CD O00329 1/20 0.38

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
SCHEMBL22096966 1.00 CYP1A2 (0.40) CYP1A2CYP3A4CLK4ALDH1A1CYP2D6
SCHEMBL22097235 0.98 CYP11B1 (0.42) CYP1A2CYP3A4CLK4ALDH1A1CYP2D6
SCHEMBL22097007 0.98 CYP11B1 (0.42) CYP1A2CYP3A4CLK4ALDH1A1CYP2D6
SCHEMBL22096962 0.90 MAPT (0.41) CYP1A2ALDH1A1MEN1GLAKMT2A
SCHEMBL22097161 0.90 MAPT (0.41) CYP1A2ALDH1A1MEN1GLAKMT2A
SCHEMBL19166781 0.89 CYP11B1 (0.47) CYP1A2CYP3A4CLK4ALDH1A1CYP2D6
SCHEMBL29747023 0.89 MAPT (0.42) CYP1A2ALDH1A1MEN1GLAKMT2A
SCHEMBL18371746 0.89 MAPT (0.42) CYP1A2ALDH1A1MEN1GLAKMT2A
SCHEMBL22097214 0.89 MAPT (0.42) CYP1A2ALDH1A1MEN1GLAKMT2A
SCHEMBL19166828 0.87 DHODH (0.43) CYP1A2CYP3A4CLK4ALDH1A1CYP2D6

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-11236075-B2 Organic compound and organic electroluminescence device using the same LUMINESCENCE TECHNOLOGY CORP. (TW) 2022-02-01 US disclosed
US-20200190065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME LUMINESCENCE TECHNOLOGY CORPORATION (TW) 2020-06-18 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-11236075-B2 Organic compound and organic electroluminescence device using the same ICMT, OR10J3, PIEZO1 CYP1A2 1063/4885CYP3A4 247/4885CLK4 2985/4885
US-20200190065-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME ICMT, OR10J3, PIEZO1 CYP1A2 1063/4885CYP3A4 247/4885CLK4 2985/4885

“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.