SCHEMBL23041670

SCHEMBL23041670

C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)nn1CC(C)(C)O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.41
▸ PIN1 Q13526 4/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ RIPK1 Q13546 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PHGDH O43175 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SHMT1 P34896 1/20 0.35
▸ SHMT2 P34897 1/20 0.35

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
SCHEMBL23041672 1.00 ALPL (0.41) ALPLPIN1RXFP1RIPK1KMT2A
SCHEMBL23041664 0.85 APLNR (0.39) RIPK1
SCHEMBL23041665 0.85 APLNR (0.39) RIPK1
SCHEMBL23041445 0.82 PHGDH (0.35) ALPLPIN1RIPK1KMT2APHGDH
SCHEMBL23041442 0.82 PHGDH (0.35) ALPLPIN1RIPK1KMT2APHGDH
SCHEMBL23041685 0.79 MME (0.35) ALPLPIN1PHGDHSMN1; SMN2KDM4E
SCHEMBL29452394 0.79 MME (0.35) ALPLPIN1PHGDHSMN1; SMN2KDM4E
SCHEMBL23041683 0.79 MME (0.35) ALPLPIN1PHGDHSMN1; SMN2KDM4E
SCHEMBL29707782 0.70 MME (0.37) ALPLPHGDH
SCHEMBL23042217 0.70 CDK2 (0.40) RIPK1KMT2AKDM4ENPC1RAB9A

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 4 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 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

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 ALPL 4871/4885PIN1 4028/4885RXFP1 2034/4885

“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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