SCHEMBL1093997

SCHEMBL1093997

Cc1cccc2c(C=O)cn(C)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
IMPDH2 P12268 1/20 0.56
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
TSHR P16473 1/20 0.44
KDM4E B2RXH2 3/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41
PARP1 P09874 1/20 0.39
PIM1 P11309 3/20 0.38
PIM3 Q86V86 3/20 0.38
PIM2 Q9P1W9 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
PABPC1 P11940 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
UBE2N P61088 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL14156855 0.85 ALDH1A1 (0.59) ALDH1A1IMPDH2TRIM24TRIM33TSHR
SCHEMBL28735790 0.82 ALKBH5 (0.41) ALDH1A1IMPDH2TRIM24TRIM33KDM4E
SCHEMBL1093392 0.81 ALDH1A1 (0.54) ALDH1A1IMPDH2KDM4EPARP1PIM1
SCHEMBL838056 0.81 ALDH1A1 (0.54) ALDH1A1IMPDH2KDM4EPARP1PIM1
SCHEMBL2599821 0.79 TRIM24 (0.42) ALDH1A1IMPDH2TRIM24TRIM33TSHR
SCHEMBL12643052 0.79 ABCC2 (0.45) ALDH1A1IMPDH2TRIM24TRIM33MEN1
SCHEMBL1093688 0.78 ALDH1A1 (0.51) ALDH1A1IMPDH2KDM4EHTTPOLB
SCHEMBL14832849 0.77 TRIM24 (0.41) ALDH1A1IMPDH2TRIM24TRIM33TSHR
SCHEMBL11087730 0.77 ALKBH5 (0.48) ALDH1A1KDM4EALKBH5FTOPARP1
SCHEMBL12182211 0.76 TRIM24 (0.40) ALDH1A1IMPDH2TRIM24TRIM33TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137021-A1 Drug Conjugates of Sugar Derivatives and Uses Thereof as Senolytic Agents Rubedo Life Sciences, Inc. 2023-05-04 US disclosed
US-20230137021-A1 Drug Conjugates of Sugar Derivatives and Uses Thereof as Senolytic Agents Rubedo Life Sciences, Inc. 2023-05-04 US disclosed
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2021-05-20 US disclosed
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY EUROPEAN MOLECULAR BIOLOGY LABORATORY (DE) 2021-05-20 US disclosed
CN-111032654-A Bicyclic heteroaromatic urea or carbamate compounds for use in therapy 欧洲分子生物学实验室 2020-04-17 CN disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same BERMAN JUDD M (CA) 2012-01-12 US disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 WO disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-20060116394-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2006-06-01 US disclosed
US-7049310-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2006-05-23 US disclosed
EP-1608377-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS Affinium Pharmaceuticals, Inc. (CA) 2005-12-28 EP disclosed
US-20050250810-A1 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-11-10 US disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
US-6846819-B1 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2005-01-25 US disclosed
EP-1226138-B1 FAB I INHIBITORS AFFINIUM PHARM INC (CA) 2004-12-29 EP disclosed
WO-2004082586-A2 PHAMACEUTICAL COMPOSITIONS COMPRISING INHIBITORS OF FAB I AND FURTHER ANTIBIOTICS AFFINIUM PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed
US-20040147580-A1 Fab I inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2004-07-29 US disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN 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 (7 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-20050250810-A1 FAB I inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885IMPDH2 1790/4885TRIM24 3719/4885
US-20230137021-A1 Drug Conjugates of Sugar Derivatives and Uses Thereof as Senolytic Agents AGER, SENP6, SENP3 ALDH1A1 748/4885IMPDH2 2275/4885TRIM24 3845/4885
US-20060116394-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI2 ALDH1A1 4020/4885IMPDH2 2308/4885TRIM24 3121/4885
US-20120010127-A1 Compositions Comprising Multiple Bioactive Agents, and Methods of Using the Same DBI, SERPINB1, CTSF ALDH1A1 4188/4885IMPDH2 4060/4885TRIM24 3293/4885
US-20040147580-A1 Fab I inhibitors SERPINB1, TMBIM6, GDI1 ALDH1A1 3962/4885IMPDH2 2362/4885TRIM24 3167/4885
US-20210147405-A1 BICYCLIC HETEROAROMATIC UREA OR CARBAMATE COMPOUNDS FOR USE IN THERAPY HIF1A, HIF1AN, EGLN3 ALDH1A1 1056/4885IMPDH2 380/4885TRIM24 3925/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 ALDH1A1 2491/4885IMPDH2 1790/4885TRIM24 3719/4885

“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.