SCHEMBL29452820

SCHEMBL29452820

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 1/20 0.34
▸ ABCG2 Q9UNQ0 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ MME P08473 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ PIN1 Q13526 1/20 0.30
▸ BCL2L1 Q07817 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30
▸ NAAA Q02083 1/20 0.30
▸ USP30 Q70CQ3 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
SCHEMBL23051954 1.00 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL23051952 1.00 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL29452761 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL23052264 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL28722803 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL23052262 0.94 TACR3 (0.34) TACR3ABCG2POLBMMETAS1R3
SCHEMBL23052246 0.93 SLC8A1 (0.36) POLBMMEALDH1A1LMNAACACB
SCHEMBL29452797 0.93 SLC8A1 (0.36) POLBMMEALDH1A1LMNAACACB
SCHEMBL23041509 0.92 MME (0.38) MMEACACBACACAUSP30
SCHEMBL23041511 0.92 MME (0.38) MMEACACBACACAUSP30

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 TACR3 731/4885ABCG2 1231/4885POLB 4320/4885

“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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