SCHEMBL29452736

SCHEMBL29452736

C[C@H](NC(=O)c1n[nH]c(-c2cccc(Br)c2)n1)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCUN1D1 Q96GG9 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ SHMT1 P34896 2/20 0.38
▸ SHMT2 P34897 2/20 0.38
▸ MDM2 Q00987 1/20 0.37
▸ ADORA3 P0DMS8 3/20 0.37

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
SCHEMBL23041591 1.00 DCUN1D1 (0.43) DCUN1D1KMT2AMEN1NPC1ALDH1A1
SCHEMBL23041588 1.00 DCUN1D1 (0.43) DCUN1D1KMT2AMEN1NPC1ALDH1A1
SCHEMBL23041379 0.80 MME (0.36) KMT2AHTTRAB9AMDM2ADORA3
SCHEMBL23041380 0.80 MME (0.36) KMT2AHTTRAB9AMDM2ADORA3
SCHEMBL29452602 0.79 HDAC3 (0.39) KMT2AALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28722010 0.79 HDAC3 (0.39) KMT2AALDH1A1HDAC3HDAC1HDAC2
SCHEMBL28722012 0.79 HDAC3 (0.39) KMT2AALDH1A1HDAC3HDAC1HDAC2
SCHEMBL23042216 0.79 CDK2 (0.40) KMT2ANPC1MAPTRAB9ASHMT1
SCHEMBL23042217 0.79 CDK2 (0.40) KMT2ANPC1MAPTRAB9ASHMT1
SCHEMBL29452801 0.79 JAK2 (0.36) MDM2ADORA3ADORA2AIDO1RIPK1

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 3 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

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 DCUN1D1 727/4885KMT2A 2551/4885MEN1 2802/4885

“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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