SCHEMBL17873970

SCHEMBL17873970

O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ HPGD P15428 1/20 0.61
▸ CD274 Q9NZQ7 1/20 0.61
▸ KDM5B Q9UGL1 2/20 0.61
▸ HTR2A P28223 1/20 0.59
▸ HTT P42858 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MMP12 P39900 1/20 0.56
▸ HPGDS O60760 1/20 0.54
▸ PTGS2 P35354 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ MAPK1 P28482 1/20 0.53

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
SCHEMBL29114916 0.86 LMNA (0.58) LMNAKMT2AHPGDCD274KDM5B
SCHEMBL20285004 0.83 KDM5B (0.60) LMNAKMT2AHPGDCD274KDM5B
SCHEMBL12161407 0.81 ALDH1A1 (0.59) LMNAHPGDHTR2AMMP12PTGS2
SCHEMBL10643373 0.81 HSD17B10 (0.55) LMNAKMT2AHPGDCD274KDM5B
SCHEMBL17883262 0.81 HPGD (0.62) LMNAKMT2AHPGDCD274KDM5B
SCHEMBL29114948 0.80 HTT (0.55) LMNAKMT2ACD274HTR2AHTT
SCHEMBL16373632 0.80 LMNA (1.00) LMNAKMT2AHPGDCD274HTT
SCHEMBL17511039 0.78 RAB9A (0.49) KMT2AHIF1ASMN1; SMN2ALDH1A1
SCHEMBL7137369 0.78 KDM5B (0.63) LMNAKMT2AHPGDCD274KDM5B
SCHEMBL10430969 0.77 KMT2A (0.65) LMNAKMT2AHPGDCD274KDM5B

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-10738011-B2 Derivatives of 5-(hetero)arylpyrazol-3-carboxylic amide or 1-(hetero)aryltriazol-4-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-08-11 — — US disclosed
US-10738011-B2 Derivatives of 5-(hetero)arylpyrazol-3-carboxylic amide or 1-(hetero)aryltriazol-4-carboxylic amide useful for the treatment of inter alia cystic fibrosis PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-08-11 — — US disclosed
US-20180327363-A1 DERIVATIVES OF 5-(HETERO)ARYLPYRAZOL-3-CARBOXYLIC AMIDE OR 1-(HETERO)ARYLTRIAZOL-4-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. 2018-11-15 — — US disclosed
WO-2016105484-A1 DERIVATIVES OF 5-(HETERO)ARYLPYRAZOL-3-CARBOXYLIC AMIDE OR 1-(HETERO)ARYLTRIAZOL-4-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-30 — — 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 (2 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-20180327363-A1 DERIVATIVES OF 5-(HETERO)ARYLPYRAZOL-3-CARBOXYLIC AMIDE OR 1-(HETERO)ARYLTRIAZOL-4-CARBOXYLIC AMIDE USEFUL FOR THE TREATMENT OF INTER ALIA CYSTIC FIBROSIS CFTR, SLC33A1, SLC26A4 LMNA 3574/4885KMT2A 1675/4885HPGD 1648/4885
US-10738011-B2 Derivatives of 5-(hetero)arylpyrazol-3-carboxylic amide or 1-(hetero)aryltriazol-4-carboxylic amide useful for the treatment of inter alia cystic fibrosis CFTR, SLC33A1, SLC26A4 LMNA 3574/4885KMT2A 1675/4885HPGD 1648/4885

“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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