SCHEMBL5116956

SCHEMBL5116956

NC(=O)c1ccc(-c2ccccc2)cc1.O=C(O)N1CCC2(CC1)CC(c1ccccc1)=NO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SSTR5 P35346 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
HTT P42858 1/20 0.39
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PRSS1 P07477 1/20 0.38
APAF1 O14727 1/20 0.38
GRK2 P25098 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL5116953 1.00 POLB (0.42) POLBCYP1A2CYP2C19SSTR5MKNK1
SCHEMBL5120758 0.95 KMT2A (0.46) POLBCYP1A2CYP2C19SSTR5ALDH1A1
SCHEMBL5124244 0.92 DHODH (0.40) POLBCYP1A2CYP2C19SSTR5KMT2A
SCHEMBL5120755 0.91 SSTR5 (0.42) POLBCYP1A2CYP2C19SSTR5ALDH1A1
SCHEMBL16175725 0.89 CHRNB4 (0.47) POLBCYP1A2CYP2C19ALDH1A1KMT2A
SCHEMBL5124242 0.88 SSTR5 (0.41) SSTR5ALDH1A1KMT2AHTT
SCHEMBL16175775 0.81 ALDH1A1 (0.44) POLBALDH1A1KMT2AHTTTDP1
SCHEMBL16175742 0.81 KMT2A (0.43) SSTR5ALDH1A1KMT2ACHRNB4CHRNA3
SCHEMBL938967 0.79 CHRNB4 (0.37) CYP2C19ALDH1A1CHRNB4CHRNA3TDP1
SCHEMBL6620431 0.79 MGLL (0.39) CYP1A2CYP2C19ALDH1A1KMT2AKDM4E

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-8772307-B2 Substituted spiro compounds and their use for producing pain-relief medicaments GRUENENTHAL GMBH (DE) 2014-07-08 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US claimed
US-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders GRUENENTHAL GMBH (DE) 2008-10-30 US 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-20080269271-A1 Analgesics; antidepressants; neurodegenerative diseases; antiepileptic agents; cognition activators; antitussive agents; incotinence; irritable bowel syndrome; stroke; vision defects; antiinflammatory agents; skin disorders; diarrhea; eating disorders INA, SCN1A, SI POLB 3770/4885CYP1A2 2142/4885CYP2C19 2329/4885

“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.