SCHEMBL29452454

SCHEMBL29452454

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNK3 O14649 2/20 0.33
▸ PIN1 Q13526 1/20 0.32
▸ PHGDH O43175 2/20 0.32
▸ MET P08581 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32
▸ TRPV4 Q9HBA0 1/20 0.32
▸ MMEL1 Q495T6 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ CHRM2 P08172 2/20 0.31
▸ CHRM1 P11229 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
SCHEMBL23041555 1.00 MME (0.35) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL23041557 1.00 MME (0.35) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL23041473 0.97 HTT (0.36) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL23041475 0.97 HTT (0.36) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL23052274 0.93 MME (0.34) MMEKCNK3PHGDHMETUSP30
SCHEMBL23041944 0.93 MME (0.36) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL29452277 0.93 MME (0.36) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL23041943 0.93 MME (0.36) MMEHTTRAB9AKMT2AKCNK3
SCHEMBL23041433 0.91 MME (0.36) MMEPIN1PHGDHUSP30TRPV4
SCHEMBL23041436 0.91 MME (0.36) MMEPIN1PHGDHUSP30TRPV4

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
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
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 MME 4464/4885HTT 1963/4885RAB9A 115/4885

“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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