SCHEMBL16858760

SCHEMBL16858760

CN(C)C(=O)c1ncon1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL1832217 0.76 — —
SCHEMBL23113893 0.71 — —
SCHEMBL8458175 0.71 — —
SCHEMBL23266336 0.71 CES1 (0.37) CES1
SCHEMBL14152761 0.69 CES1 (0.36) CES1
SCHEMBL9987095 0.69 P2RX7 (0.43) CES1SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL1110118 0.67 CYP1A2 (0.42) CES1ALDH1A1KMT2A
SCHEMBL14338424 0.66 ALDH1A1 (0.36) SMN1; SMN2RAB9AALDH1A1HPGDKMT2A
SCHEMBL12714300 0.65 KDM4E (0.45) SMN1; SMN2RAB9AALDH1A1HPGD
SCHEMBL15780518 0.65 APLNR (0.41) SMN1; SMN2RAB9AALDH1A1HPGDKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677667-A Bifunctional chimera heterocyclic compound and application thereof as androgen receptor degrading agent 海创药业股份有限公司 2023-02-03 — — CN disclosed
US-9353102-B2 Non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2016-05-31 — — US disclosed
US-20150183778-A1 New non-annulated thiophenylamides HOFFMANN-LA ROCHE INC. (US) 2015-07-02 — — 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-20150183778-A1 New non-annulated thiophenylamides NAT1, NCL, NTSR1 CES1 2173/4885SMN1; SMN2 3864/4885RAB9A 701/4885

“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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