Sugi Predict

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SCHEMBL2462136

SCHEMBL2462136

CC(=O)C(=Cc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 3/20 0.52
▸ ALDH1A1 P00352 7/20 0.43
▸ KMT2A Q03164 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ PDE7A Q13946 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ RORC P51449 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39

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
SCHEMBL2460265 0.77 ERN1 (0.53) ALDH1A1KMT2ALMNAMEN1PDE7A
SCHEMBL30292007 0.77 ERN1 (0.53) ALDH1A1KMT2ALMNAMEN1PDE7A
SCHEMBL4924517 0.77 ERN1 (0.61) GLO1ALDH1A1KMT2ALMNAMEN1
SCHEMBL9399639 0.77 GLO1 (0.57) GLO1ALDH1A1KMT2ALMNAMEN1
SCHEMBL28103378 0.76 PDE7A (0.47) ALDH1A1KMT2ALMNAMEN1PDE7A
SCHEMBL29928895 0.75 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMEN1PDE7A
SCHEMBL20568110 0.75 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAMEN1PDE7A
SCHEMBL16652403 0.74 SMN1; SMN2 (0.51) GLO1ALDH1A1KMT2AMEN1MAPT
SCHEMBL11632382 0.73 POLB (0.41) ALDH1A1KMT2ALMNAMEN1PDE7A
SCHEMBL18163161 0.72 RORC (0.49) ALDH1A1KMT2ALMNAMEN1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 — — US disclosed
US-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 — — US disclosed
US-8404709-B2 Substituted 4-aryl-1,4-dihydro-1,6-naphthyridines and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-26 — — US disclosed
EP-2029591-B1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF Bayer Pharma AG (DE) 2011-09-07 — — EP disclosed
US-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — US disclosed
US-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — US disclosed
US-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 — — US disclosed
WO-2007140934-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-13 — — 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-20100305052-A1 SUBSTITUTED 4-ARYL-1,4-DIHYDRO-1,6-NAPHTHYRIDINES AND USE THEREOF QDPR, NQO1, NAT1 GLO1 1153/4885ALDH1A1 101/4885KMT2A 3444/4885

“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.