Sugi Predict

Sugi Predict / Compounds / SCHEMBL3069960

SCHEMBL3069960

SCHEMBL3069960

COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)C=Cc3cccc([N+](=O)[O-])c3)C4)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.39
▸ GAA P10253 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TXNRD1 Q16881 1/20 0.37
▸ TXNRD3 Q86VQ6 1/20 0.37
▸ TXNRD2 Q9NNW7 1/20 0.37
▸ MAPT P10636 4/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HTT P42858 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
SCHEMBL3069959 1.00 ALDH1A1 (0.39) ALDH1A1GAATRPV1MEN1KMT2A
SCHEMBL11947987 1.00 ALDH1A1 (0.39) ALDH1A1GAATRPV1MEN1KMT2A
SCHEMBL3062242 0.90 KCNH2 (0.34) ALDH1A1RAB9ANPC1MAPTCYP1A2
SCHEMBL3062244 0.90 KCNH2 (0.34) ALDH1A1RAB9ANPC1MAPTCYP1A2
SCHEMBL3059486 0.89 MAOA (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL3059488 0.89 MAOA (0.40) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL11947986 0.89 MMP2 (0.39) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL3064019 0.89 MMP2 (0.39) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL3064018 0.89 MMP2 (0.39) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL3069477 0.86 CCR2 (0.38) ALDH1A1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 — — US claimed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 — — US claimed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — US claimed
US-8242275-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-08-14 — — US disclosed
US-8232391-B2 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA NV (BE) 2012-07-31 — — US disclosed
US-7842810-B2 2,3-Dihydro-benzo[1,4]dioxine-6-carboxylic acid [2-(6-methoxy-quinolin-4-yl)-4,5,6,7-tetrahydro-2H-indazol-5-yl]-amide JANSSEN PHARMACEUTICA, NV (BE) 2010-11-30 — — US disclosed
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-11-04 — — US disclosed
US-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS ALLISON BRETT D 2010-10-28 — — US disclosed
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-05 — — 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 (4 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-20100274005-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 ALDH1A1 3885/4885GAA 2502/4885TRPV1 1483/4885
US-20060223810-A1 Bicyclic pyrazole compounds as antibacterial agents NOD2, BAK1, CASP3 ALDH1A1 3885/4885GAA 2502/4885TRPV1 1483/4885
US-20100274004-A1 BICYCLIC PIRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS PIR, BAK1, TMBIM6 ALDH1A1 3228/4885GAA 3798/4885TRPV1 2093/4885
US-20100280240-A1 BICYCLIC PYRAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS NOD2, BAK1, CASP3 ALDH1A1 3885/4885GAA 2502/4885TRPV1 1483/4885

“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.