SCHEMBL25878131

SCHEMBL25878131

CC(C)(C)c1nc(-c2ccccc2-c2ccccc2)c2ccc3ccccc3c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MAOA P21397 1/20 0.37
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TNF P01375 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPARD Q03181 1/20 0.34
CNR2 P34972 5/20 0.34
CNR1 P21554 5/20 0.34
ENPP1 P22413 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL19161960 0.88 MAOA (0.40) ALDH1A1MAOAMAPTL3MBTL1CNR2
SCHEMBL19162668 0.86 MAOA (0.38) ALDH1A1MAOAMAPTL3MBTL1CNR2
SCHEMBL25878135 0.85 PPARG (0.41) ALDH1A1MAPTL3MBTL1TNFPPARG
SCHEMBL23473872 0.82 MAOA (0.39) ALDH1A1MAOAMAPTL3MBTL1CYP2C9
SCHEMBL18232172 0.81 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1ATMSMN1; SMN2
SCHEMBL24768690 0.80 MAOA (0.36) ALDH1A1MAOAMAPTL3MBTL1CNR2
SCHEMBL19162667 0.79 MAPT (0.40) ALDH1A1MAOAMAPTL3MBTL1CNR2
SCHEMBL24604737 0.76 ELANE (0.37) ALDH1A1MAPTL3MBTL1CYP2C9CYP2C19
SCHEMBL22960296 0.75 KDM4E (0.45) ALDH1A1MAPTL3MBTL1KDM4ETP53
SCHEMBL22097079 0.74 L3MBTL1 (0.42) ALDH1A1MAOAMAPTL3MBTL1CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 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-20230192669-A1 COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND ELECTRONIC APPARATUS ACHE, OR51E2, L1CAM ALDH1A1 213/4885MAOA 120/4885MAPT 1215/4885

“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.