SCHEMBL6644658

SCHEMBL6644658

Cc1ccc(CO)c(Nc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
ABCG2 Q9UNQ0 11/20 0.49
PDE5A O76074 1/20 0.49
ABCC1 P33527 1/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPK1 P28482 1/20 0.46
TLR8 Q9NR97 1/20 0.45
DDX3X O00571 1/20 0.45
HTT P42858 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL3636338 0.86 ABCG2 (0.47) KMT2AABCG2PDE5AABCC1ALDH1A1
SCHEMBL848595 0.81 KMT2A (0.53) KMT2AABCG2PDE5AABCC1ALDH1A1
SCHEMBL6642187 0.81 AKR1C3 (0.57) KMT2AABCG2PDE5AABCC1ALDH1A1
SCHEMBL9402427 0.80 KMT2A (0.65) KMT2AABCG2PDE5AALDH1A1SMN1; SMN2
SCHEMBL6645636 0.79 ABCG2 (0.50) KMT2AABCG2PDE5AABCC1ALDH1A1
SCHEMBL6643376 0.79 AKR1C3 (0.52) KMT2AABCG2ABCC1ALDH1A1SMN1; SMN2
SCHEMBL27800307 0.78 ABCG2 (0.49) KMT2AABCG2PDE5AABCC1ALDH1A1
SCHEMBL27800308 0.75 ABCG2 (0.47) KMT2AABCG2PDE5AABCC1ALDH1A1
SCHEMBL6644795 0.74 KMT2A (0.45) KMT2AABCG2ABCC1ALDH1A1SMN1; SMN2
SCHEMBL18280294 0.72 SMN1; SMN2 (0.51) KMT2AABCG2PDE5AABCC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1224624-C 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2005-10-26 CN disclosed
EP-1236725-B1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES GRELAN PHARMACEUTICAL CO (JP) 2004-03-10 EP disclosed
US-6642250-B2 As phosphodiesterase inhibitor for prophylaxis and therapy of bronchial asthma; pneumonic diseases, pulmonary emphysema, chronic obstructive pulmonary disease acute respiratory distress syndrome (ARDS), and other respiratory diseases GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
CN-1407984-A Novel 1, 8-naphthyridin-2 (1H) -one derivatives GRELAN PHARMACEUTICAL CO (JP) 2003-04-02 CN disclosed
US-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 2003-02-20 US disclosed
EP-1236725-A1 NOVEL 1,8-NAPHTHYRIDIN-2(1H)-ONE DERIVATIVES Grelan Pharmaceutical Co., Ltd. (JP) 2002-09-04 EP 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-20030036651-A1 Novel 1,8-naphthyridin-2(1h)-one derivatives PDE3B, PDE4A, PDE4B KMT2A 1653/4885ABCG2 840/4885PDE5A 7/4885

“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.