SCHEMBL29889779

SCHEMBL29889779

Fc1ncccc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.55
CYP3A4 P08684 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 5/20 0.50
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDO2 P48775 2/20 0.45
CYP17A1 P05093 1/20 0.45
NUDT1 P36639 1/20 0.45
CYP2E1 P05181 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL3876408 0.81 DHODH (0.50) ALDH1A1MAPTCYP11B1CYP11B2HTT
SCHEMBL31051044 0.81 DHODH (0.50) ALDH1A1MAPTCYP11B1CYP11B2HTT
SCHEMBL10205407 0.80 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL29889660 0.79 MAPT (0.49) MAPTCYP11B1CYP11B2LMNA
SCHEMBL2489325 0.79 MAPT (0.49) MAPTCYP11B1CYP11B2LMNA
SCHEMBL20541087 0.78 CYP2A6 (0.70) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL30026143 0.78 CYP2A6 (0.70) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL31635952 0.78 PTGS2 (0.64) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL2592406 0.78 CYP2A6 (0.57) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL30032 0.78 PTGS2 (0.64) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT

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-20240262803-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS Chungdu Anticancer Bioscience Ltd (CN) 2024-08-08 US disclosed
WO-2022199654-A1 HETEROARYL-HETEROARYL-O-PHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER DISORDERS Chengdu Anticancer Bioscience, Ltd. (CN) 2022-09-29 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-20240262803-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING DISORDERS CYP27A1, PNLIP, GOT2 CYP2A6 564/4885CYP3A4 1394/4885ALDH1A1 461/4885

“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.