SCHEMBL17883262

SCHEMBL17883262

O=C(NCCN1CCOCC1)c1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.62
▸ CD274 Q9NZQ7 1/20 0.62
▸ KDM5B Q9UGL1 2/20 0.62
▸ KMT2A Q03164 2/20 0.61
▸ LMNA P02545 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ HPGDS O60760 1/20 0.57
▸ MMP12 P39900 1/20 0.57
▸ HDAC3 O15379 2/20 0.57
▸ HDAC4 P56524 2/20 0.57
▸ HDAC1 Q13547 2/20 0.57
▸ HDAC7 Q8WUI4 2/20 0.57
▸ HDAC2 Q92769 2/20 0.57
▸ HDAC10 Q969S8 2/20 0.57
▸ HDAC11 Q96DB2 2/20 0.57
▸ HDAC8 Q9BY41 2/20 0.57
▸ HDAC6 Q9UBN7 2/20 0.57
▸ HDAC9 Q9UKV0 2/20 0.57

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
SCHEMBL7137369 0.87 KDM5B (0.63) HPGDCD274KDM5BKMT2ALMNA
Hydrochloric Acid SCHEMBL6014932 0.86 KDM5B (0.62) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL2629288 0.81 POLB (0.56) KDM4EALDH1A1HSD17B10MAPTTP53
SCHEMBL17873970 0.81 LMNA (0.66) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL20285004 0.80 KDM5B (0.60) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL17874002 0.80 KMT2A (0.67) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL10430969 0.78 KMT2A (0.65) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL16496406 0.77 HPGDS (0.72) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL9779336 0.77 HPGD (0.59) HPGDCD274KDM5BKMT2ALMNA
SCHEMBL8167646 0.77 CD274 (1.00) HPGDCD274KDM4EALDH1A1HPGDS

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 2 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
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 (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-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 HPGD 1648/4885CD274 4781/4885KDM5B 4297/4885

“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.

Send feedback