SCHEMBL24966874

SCHEMBL24966874

CCOC(=O)c1nnn([C@H](C)c2ccccc2)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
CYP11B1 P15538 2/20 0.50
CYP11B2 P19099 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
ABCB11 O95342 1/20 0.50
GABRA2 P47869 1/20 0.50
SLC5A1 P13866 5/20 0.48
SLC5A2 P31639 5/20 0.48
CYP19A1 P11511 4/20 0.46
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 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
SCHEMBL24966930 0.85 TP53 (0.51) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL23234141 0.85 TP53 (0.51) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL24966761 0.84 TP53 (0.48) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL24966776 0.84 CYP1A2 (0.51) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL24966765 0.83 TP53 (0.49) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL23234125 0.80 LMNA (0.52) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL24966763 0.78 CYP1A2 (0.50) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL24966250 0.78 CYP1A2 (0.50) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL24966914 0.78 CYP1A2 (0.50) TP53ALOX12CYP1A2CYP3A4GABRA1
SCHEMBL23234124 0.78 CYP1A2 (0.50) TP53ALOX12CYP1A2CYP3A4GABRA1

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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CHENGDU MFS PHARMA. CO., LTD. (CN) 2023-01-26 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-20230026724-A1 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUND AND ANESTHETIC EFFECT THEREOF CYP21A2, CYP11B1, CYP11B2 TP53 4650/4885ALOX12 1242/4885CYP1A2 42/4885

“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.