Sugi Predict

Sugi Predict / Compounds / SCHEMBL21632041

SCHEMBL21632041

SCHEMBL21632041

CC(C)(C)OC(=O)CC(C)(CN)c1ncccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.37
▸ PTGFR P43088 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CASP3 P42574 2/20 0.34
▸ SENP8 Q96LD8 2/20 0.34
▸ SENP7 Q9BQF6 2/20 0.34
▸ SENP6 Q9GZR1 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SSTR4 P31391 1/20 0.32

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
SCHEMBL21632313 0.84 PTGFR (0.46) PTGFRSMN1; SMN2TDP1CASP3SENP8
SCHEMBL21708790 0.79 NPC1 (0.32) PTGFRALDH1A1NPC1RAB9ATDP1
SCHEMBL21656312 0.79 POLB (0.38) POLBPTGFRALDH1A1SMN1; SMN2NPC1
SCHEMBL21656363 0.79 CYP2C19 (0.36) POLBALDH1A1HPGDKDM4E
SCHEMBL21656332 0.79 POLB (0.36) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL21656119 0.77 CETP (0.42) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL21632070 0.75 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2RAB9ATP53HTT
SCHEMBL10198453 0.74 POLB (0.42) POLBALDH1A1SMN1; SMN2TDP1CASP3
SCHEMBL30486616 0.74 POLB (0.42) POLBALDH1A1SMN1; SMN2TDP1CASP3
SCHEMBL21631978 0.72 PTGFR (0.44) PTGFRSMN1; SMN2HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 — — US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 — — US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 — — 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 (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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX POLB 3807/4885PTGFR 1050/4885ALDH1A1 808/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX POLB 3807/4885PTGFR 1050/4885ALDH1A1 808/4885

“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.