SCHEMBL5758982

SCHEMBL5758982

COc1ccc2c(c1)C(=O)CCN2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.58
PDE3A Q14432 2/20 0.58
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CASP1 P29466 1/20 0.54
MPI P34949 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 4/20 0.54
MAPT P10636 2/20 0.54
NPC1 O15118 1/20 0.54

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
SCHEMBL30718037 0.87 ALDH1A1 (0.54) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL643543 0.87 ALDH1A1 (0.54) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL29199414 0.83 PDE3B (0.61) PDE3BPDE3AALDH1A1HPGDHTT
SCHEMBL22451527 0.82 RYR2 (0.56) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL29115795 0.81 ALDH1A1 (0.41) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL6754939 0.80 CES1 (0.54) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL1183750 0.79 PDE3B (0.74) PDE3BPDE3AALDH1A1HPGDHTT
SCHEMBL6409810 0.78 HTT (0.48) PDE3BPDE3AALDH1A1HPGDMEN1
SCHEMBL5546719 0.77 ALDH1A1 (0.58) ALDH1A1HPGDMEN1KMT2AHTT
SCHEMBL16963878 0.76 PDE3B (0.61) PDE3BPDE3AALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069658-A Preparation method of 4-oxo-6-methoxy-3- (2, 3-dichlorophenyl) methyl-1 (4H) -quinolineacetic acid 宁夏康亚药业股份有限公司 2023-11-17 CN claimed
CN-117069658-A Preparation method of 4-oxo-6-methoxy-3- (2, 3-dichlorophenyl) methyl-1 (4H) -quinolineacetic acid 宁夏康亚药业股份有限公司 2023-11-17 CN disclosed
CN-117069658-A Preparation method of 4-oxo-6-methoxy-3- (2, 3-dichlorophenyl) methyl-1 (4H) -quinolineacetic acid 宁夏康亚药业股份有限公司 2023-11-17 CN disclosed
CN-113372268-B 4-oxo-6-methoxy-3- (2, 3-dichlorophenyl) methyl-1 (4H) quinolineacetic acid metabolites 宁夏康亚药业股份有限公司 2023-10-17 CN disclosed
CN-113372268-A 4-oxo-6-methoxy-3- (2, 3-dichlorophenyl) methyl-1 (4H) quinolineacetic acid metabolites 宁夏康亚药业股份有限公司 2021-09-10 CN disclosed
CN-103772276-A Preparation method of 2-(6-methoxy-3-(2, 3-dichlorophenyl) methyl-4-oxo-1, 4-dihydro-1(4H)-quinolyl) acetic acid UNIV SHENYANG PHARMACEUTICAL 2014-05-07 CN disclosed
CN-103739547-A Synthesis method of 2-[6-methoxy-3-(2,3-dichlorophenyl)methyl-4-oxo-1,4-dihydro-1(4H)-quinolyl] acetic acid UNIV SHENYANG PHARMACEUTICAL 2014-04-23 CN disclosed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 US disclosed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP disclosed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 US disclosed
EP-1242403-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS Pfizer Products Inc. (US) 2002-09-25 EP disclosed
WO-2001040215-A1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed
US-4585867-A Process for the preparation of 4-quinolinones RHONE-POULENC SANTE (FR) 1986-04-29 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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 PDE3B 2269/4885PDE3A 2215/4885ALDH1A1 495/4885

“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.