SCHEMBL4294530

SCHEMBL4294530

COC1CNCC(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PLIN1 O60240 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
ACHE P22303 1/20 0.39
RAB9A P51151 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP1B1 Q16678 1/20 0.36
GAA P10253 2/20 0.35
KMT2A Q03164 1/20 0.35
RPS6KA2 Q15349 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4294531 1.00 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL4294532 1.00 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL1413616 0.82 CYP1A2 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL5413446 0.80 CYP1B1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL5413441 0.80 CYP1B1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL5413443 0.80 CYP1B1 (0.46) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL25220898 0.76 HTR2B (0.42) ALDH1A1CYP1A2CASP3
SCHEMBL30464454 0.76 HTR2B (0.42) ALDH1A1CYP1A2CASP3
SCHEMBL25285180 0.76 HTR2B (0.42) ALDH1A1CYP1A2CASP3
SCHEMBL4298164 0.74 TP53 (0.39) ALDH1A1HPGDPLIN1MAPTALOX15

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
EP-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ ALDH1A1 3885/4885HPGD 302/4885CYP1A2 1854/4885

“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.