SCHEMBL29452759

SCHEMBL29452759

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC8A1 P32418 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.32
▸ MME P08473 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ LMNA P02545 2/20 0.32
▸ KDM4E B2RXH2 4/20 0.32
▸ HPGD P15428 4/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ F11 P03951 1/20 0.31
▸ KLKB1 P03952 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
SCHEMBL23052251 1.00 SLC8A1 (0.36) SLC8A1POLBHSP90AA1SMYD3MME
SCHEMBL23052268 1.00 SLC8A1 (0.36) SLC8A1POLBHSP90AA1SMYD3MME
SCHEMBL23052269 1.00 SLC8A1 (0.36) SLC8A1POLBHSP90AA1SMYD3MME
SCHEMBL23052252 1.00 SLC8A1 (0.36) SLC8A1POLBHSP90AA1SMYD3MME
SCHEMBL29452797 0.94 SLC8A1 (0.36) SLC8A1POLBHSP90AA1MMEALDH1A1
SCHEMBL23052246 0.94 SLC8A1 (0.36) SLC8A1POLBHSP90AA1MMEALDH1A1
SCHEMBL23052262 0.93 TACR3 (0.34) POLBHSP90AA1SMYD3MMEALDH1A1
SCHEMBL29452761 0.93 TACR3 (0.34) POLBHSP90AA1SMYD3MMEALDH1A1
SCHEMBL23052264 0.93 TACR3 (0.34) POLBHSP90AA1SMYD3MMEALDH1A1
SCHEMBL28722803 0.93 TACR3 (0.34) POLBHSP90AA1SMYD3MMEALDH1A1

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 4320/4885HSP90AA1 1736/4885

“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.

Send feedback