SCHEMBL29452797

SCHEMBL29452797

CCOC(=O)[C@@H](NC(=O)c1cnc(-c2cccc(-c3nnc(C(=O)NC(C4CC4)C4CC4)[nH]3)c2)o1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC8A1 P32418 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ MME P08473 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ F11 P03951 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ MMEL1 Q495T6 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ ACACB O00763 1/20 0.31
▸ ACACA Q13085 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ LMNA P02545 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
SCHEMBL23052246 1.00 SLC8A1 (0.36) SLC8A1POLBMMEHSP90AA1F11
SCHEMBL23052268 0.94 SLC8A1 (0.36) SLC8A1POLBMMEHSP90AA1F11
SCHEMBL29452759 0.94 SLC8A1 (0.36) SLC8A1POLBMMEHSP90AA1F11
SCHEMBL23052251 0.94 SLC8A1 (0.36) SLC8A1POLBMMEHSP90AA1F11
SCHEMBL23052252 0.94 SLC8A1 (0.36) SLC8A1POLBMMEHSP90AA1F11
SCHEMBL23052269 0.94 SLC8A1 (0.36) SLC8A1POLBMMEHSP90AA1F11
SCHEMBL23051954 0.93 TACR3 (0.34) POLBMMEHSP90AA1ALDH1A1ACACB
SCHEMBL29452820 0.93 TACR3 (0.34) POLBMMEHSP90AA1ALDH1A1ACACB
SCHEMBL23051952 0.93 TACR3 (0.34) POLBMMEHSP90AA1ALDH1A1ACACB
SCHEMBL23041511 0.90 MME (0.38) SLC8A1MMEMMEL1ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US claimed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP claimed
US-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2022-09-29 — — US disclosed
EP-4021572-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE Novartis AG (CH) 2022-07-06 — — EP disclosed
CN-114341132-A Substituted 1, 3-phenylheteroaryl derivatives and their use in the treatment of diseases 诺华股份有限公司 2022-04-12 — — CN 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-20220306617-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE CFTR, TMEM161A, TMEM164 SLC8A1 430/4885POLB 4320/4885MME 4464/4885

“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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