SCHEMBL24966840

SCHEMBL24966840

C=CC#CC(C)OC(=O)c1c(F)nnn1[C@H](C)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 2/20 0.31
KLK7 P49862 1/20 0.31
FAAH O00519 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
LMNA P02545 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
ABCB11 O95342 1/20 0.31
GABRA2 P47869 1/20 0.31
ROCK2 O75116 1/20 0.30
MAOA P21397 1/20 0.30
ALDH1A1 P00352 3/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24967068 0.88 BRD4 (0.31) BRD4MAPK1ATMFAAHCYP1A2
SCHEMBL24966931 0.88 ALDH1A1 (0.33) BRD4MAPK1ATMFAAHCYP1A2
SCHEMBL22696993 0.82 MAPK1 (0.38) MAPK1ATMKLK7CYP1A2CYP3A4
SCHEMBL23234254 0.82 BRD4 (0.37) BRD4MAPK1FAAHCYP1A2CYP3A4
SCHEMBL24966734 0.81 PDCD1 (0.40) BRD4MAPK1ATMFAAHCYP1A2
SCHEMBL24966744 0.80 CYP1A2 (0.35) BRD4MAPK1ATMKLK7FAAH
SCHEMBL24966083 0.78 BRD4 (0.35) BRD4MAPK1KLK7FAAHCYP1A2
SCHEMBL24966743 0.78 CYP3A4 (0.43) BRD4MAPK1CYP1A2CYP3A4GABRA1
SCHEMBL23234260 0.76 ALDH1A1 (0.42) BRD4MAPK1ATMFAAHLMNA
SCHEMBL24966779 0.76 ALDH1A1 (0.42) BRD4MAPK1ATMFAAHLMNA

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 BRD4 2260/4885MAPK1 1577/4885ATM 4539/4885

“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.