SCHEMBL24966867

SCHEMBL24966867

C[C@H](c1ccccc1)n1nccc1C(=O)C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 9/20 0.46
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
FAAH O00519 1/20 0.40
MAPK1 P28482 2/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
LMNA P02545 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ABCB11 O95342 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL24966076 0.86 BRD4 (0.41) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL23234027 0.86 BRD4 (0.41) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL28348292 0.84 ALDH1A1 (0.53) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL24966152 0.84 ALDH1A1 (0.53) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL28206403 0.83 BRD4 (0.49) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL23234281 0.83 BRD4 (0.46) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL24966148 0.83 BRD4 (0.46) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL24966182 0.82 BRD4 (0.45) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL24966866 0.79 BRD4 (0.43) BRD4ALDH1A1TDP1FAAHMAPK1
SCHEMBL24966063 0.78 BRD4 (0.42) BRD4ALDH1A1TDP1FAAHMAPK1

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 2260/4885ALDH1A1 413/4885TDP1 3560/4885

“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.