SCHEMBL23041473

SCHEMBL23041473

C[C@H](NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)N[C@H](C)C4CC4)o3)c2)nn1CC(O)C(F)(F)F)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MME P08473 2/20 0.35
▸ KCNK3 O14649 1/20 0.35
▸ PHGDH O43175 2/20 0.33
▸ MET P08581 1/20 0.33
▸ USP30 Q70CQ3 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ TRPV4 Q9HBA0 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ CHRM2 P08172 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL23041475 1.00 HTT (0.36) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL29452454 0.97 MME (0.35) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23041555 0.97 MME (0.35) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23041557 0.97 MME (0.35) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL29452277 0.96 MME (0.36) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23041943 0.96 MME (0.36) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23041944 0.96 MME (0.36) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23052244 0.94 USP30 (0.39) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23041645 0.93 POLB (0.35) HTTRAB9AKMT2AMMEKCNK3
SCHEMBL23041643 0.93 POLB (0.35) HTTRAB9AKMT2AMMEKCNK3

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 9 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
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 claimed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO 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
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO 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 HTT 1963/4885RAB9A 115/4885KMT2A 2551/4885

“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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