SCHEMBL8305012

SCHEMBL8305012

Cc1ccc(-c2ccccc2)c[n+]1[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
SLC22A3 O75751 1/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
MGLL Q99685 1/20 0.37
PTGS2 P35354 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL8470197 0.76 L3MBTL1 (0.41) L3MBTL1ALDH1A1SMN1; SMN2PTGS2
SCHEMBL17860780 0.74 ALDH1A1 (0.39) ALDH1A1CA1CA2CA9CA12
SCHEMBL9430353 0.74 CYP1A2 (0.37) ALDH1A1CA1CA2CA9CA12
SCHEMBL509739 0.69 HTT (0.49) L3MBTL1ALDH1A1CA1CA2CA9
SCHEMBL30171295 0.69
SCHEMBL24593917 0.68 PARP1 (0.38) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL24594122 0.68 PARP1 (0.38) ALDH1A1CA1CA2CA9KDM4E
SCHEMBL24593918 0.67 LMNA (0.41) L3MBTL1ALDH1A1KDM4ESMN1; SMN2HTT
Tannin Pyrogallol SCHEMBL21448 0.66 ALDH1A1 (0.90) ALDH1A1CA1CA2CA9CA12
SCHEMBL2637802 0.66 ALDH1A1 (0.90) ALDH1A1CA1CA2CA9CA12

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
EP-3233889-B1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS SHANGHAI MICURX PHARMACEUTICAL CO LTD (CN) 2022-07-06 EP disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-5872136-A Arylheteroaryl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-02-16 US disclosed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed
WO-1994011378-A1 ARYL THIOPYRANO[2,3,4-c,d]INDOLES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK FROSST CANADA INC. (CA) 1994-05-26 WO disclosed
US-5314900-A Aryl thiopyrano[2,3,4-C,D]indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-05-24 US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 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-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 L3MBTL1 2646/4885ALDH1A1 4807/4885CA1 4817/4885

“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.