SCHEMBL1781793

SCHEMBL1781793

O=C(O)[C@@H](O)CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
MMP2 P08253 6/20 0.51
MMP9 P14780 6/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP13 P45452 1/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49

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
SCHEMBL1286243 1.00 ALDH1A1 (0.55) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL2640824 0.90 HDAC7 (0.53) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL2640823 0.90 HDAC7 (0.53) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL11686163 0.89 HDAC1 (0.59) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL7080833 0.86 ALDH1A1 (0.58) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL12605262 0.85 ALDH1A1 (0.54) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL30307799 0.83 ALDH1A1 (0.52) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL8897056 0.82 ALDH1A1 (0.70) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL11656910 0.82 ALDH1A1 (0.70) ALDH1A1CA12CA9MMP2MMP9
SCHEMBL8898810 0.82 ALDH1A1 (0.70) ALDH1A1CA12CA9MMP2MMP9

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 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107102083-B PHBA process impurity detection method 成都丽凯手性技术有限公司 2020-09-15 CN claimed
CN-111201226-B Cyclic substituted imidazo [4,5-c ] quinoline derivatives 辉瑞大药厂 2022-07-22 CN disclosed
EP-3592740-B1 CYCLIC SUBSTITUTED IMIDAZO[4,5-C]QUINOLINE DERIVATIVES PFIZER (US) 2022-02-09 EP disclosed
US-11161844-B2 Cyclic substituted imidazo[4,5-c]quinoline derivatives PFIZER INC. (US) 2021-11-02 US disclosed
US-11161844-B2 Cyclic substituted imidazo[4,5-c]quinoline derivatives PFIZER INC. (US) 2021-11-02 US disclosed
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed
CN-108137586-B Novel imidazo [4,5-c ] quinoline and imidazo [4,5-c ] [1,5] naphthyridine derivatives as LRRK2 inhibitors 辉瑞大药厂 2021-04-13 CN disclosed
CN-107102083-B PHBA process impurity detection method 成都丽凯手性技术有限公司 2020-09-15 CN disclosed
CN-111201226-A Cyclic substituted imidazo [4,5-c ] quinoline derivatives 辉瑞大药厂 2020-05-26 CN disclosed
US-6001867-A HYPOGLYCEMIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-14 US disclosed
WO-1999058521-A1 11-ARYL-BENZO[B]NAPHTHO[2,3-D]FURANS AND 11-ARYL-BENZO[B]NAPHTHO[2,3-D]THIOPHENES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-18 WO disclosed
US-4360665-A 4\"-N-(Substituted)-apramycin antibiotic derivatives and intermediates therefor ELI LILLY AND COMPANY (US) 1982-11-23 US disclosed
US-4125706-A Novel process for the preparation of 1-N-(alpha-substituted-omega-aminoacyl)-3'-deoxyribostamycin ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1978-11-14 US disclosed
US-4107424-A ANTIBACTERIAL ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1978-08-15 US disclosed
US-4104372-A ANTIBACTERIAL ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1978-08-01 US disclosed
US-4008218-A MULTISTAGE MEIJI SEIKI KAISHA, LTD. (JA) 1977-02-15 US disclosed
US-4008362-A ANTIBIOTIC MEIJI SEIKA KAISHA, LTD. (JA) 1977-02-15 US disclosed
US-4001208-A DERIVATIVE OF AN AMINOGLYCOSIDIC ANTIBIOTIC ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYO KAI (JA) 1977-01-04 US disclosed
US-3948882-A ANTIBIOTIC ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1976-04-06 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-11161844-B2 Cyclic substituted imidazo[4,5-c]quinoline derivatives LRRK2, PARK7, BRCA1 ALDH1A1 2211/4885CA12 4822/4885CA9 4756/4885

“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.