SCHEMBL23041604

SCHEMBL23041604

CCC(CC)NC(=O)c1cnc(-c2cccc(-c3cc(C(=O)NC(C)C4CCCO4)n[nH]3)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ PRKD1 Q15139 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 3/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MME P08473 2/20 0.36

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
SCHEMBL23041634 1.00 KMT2A (0.40) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL23051909 1.00 KMT2A (0.40) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL28721826 1.00 KMT2A (0.40) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL23041632 1.00 KMT2A (0.40) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL23052272 0.92 MME (0.36) PRKD1MME
SCHEMBL29452838 0.91 MME (0.38) PRKD1MME
SCHEMBL23052187 0.91 MME (0.38) PRKD1MME
SCHEMBL23041636 0.89 PRKD1 (0.41) PRKD1MME
SCHEMBL29707750 0.89 KMT2A (0.42) KMT2AMEN1KDM4ELMNAALDH1A1
SCHEMBL29452315 0.89 PRKD1 (0.41) PRKD1MME

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 8 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
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
WO-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO 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
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 KMT2A 2551/4885MEN1 2802/4885KDM4E 3756/4885

“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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