SCHEMBL24966147

SCHEMBL24966147

CCSC(SCC)C(=O)c1ccnn1[C@H](C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 11/20 0.45
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ GABRA2 P47869 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ BRD2 P25440 1/20 0.36
▸ BRD3 Q15059 1/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ KDM5A P29375 1/20 0.34
▸ KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL24966865 0.82 BRD4 (0.45) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966205 0.81 CYP1A2 (0.43) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24967082 0.80 BRD4 (0.48) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966195 0.80 BRD4 (0.40) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL28348292 0.79 ALDH1A1 (0.53) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966152 0.79 ALDH1A1 (0.53) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL23234281 0.78 BRD4 (0.46) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL24966148 0.78 BRD4 (0.46) BRD4CYP1A2CYP3A4GABRA1GABRB2
SCHEMBL28206403 0.78 BRD4 (0.49) BRD4ALDH1A1TDP1BRD2BRD3
SCHEMBL23234016 0.77 FAAH (0.44) BRD4CYP1A2CYP3A4GABRA1GABRB2

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 2260/4885CYP1A2 42/4885CYP3A4 8/4885

“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.

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