SCHEMBL29406486

SCHEMBL29406486

COc1c(N2C[C@@H](N)C3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 4/20 0.53
POLB P06746 3/20 0.53
HSD17B10 Q99714 2/20 0.53
OPRM1 P35372 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PRKD3 O94806 1/20 0.53
ALOX15 P16050 1/20 0.53
CLK2 P49760 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CYP3A4 P08684 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.48
TOP1 P11387 2/20 0.48
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ATM Q13315 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
SCHEMBL3197064 1.00 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL5527915 0.99 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL5439095 0.98 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6504574 0.90 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL12961917 0.90 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL14377772 0.88 KCNH2 (0.40) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL74553 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL21416358 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL13483604 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL1652843 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12558349-B2 Methods of treating infections in overweight and obese patients using antibiotics MELINTA SUBSIDIARY CORP. (US) 2026-02-24 US disclosed
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics MELINTA SUBSIDIARY CORP. (US) 2024-07-16 US disclosed
US-20240165100-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA SUBSIDIARY CORP. 2024-05-23 US disclosed
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2024-03-07 US disclosed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 CN disclosed
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FIRST WAVE BIO, INC. (US) 2023-10-24 US disclosed
US-11744812-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-09-05 US disclosed
US-20230201143-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2023-06-29 US disclosed
US-20230102999-A1 DEUTERATED NICLOSAMIDE FIRST WAVE BIO, INC. 2023-03-30 US disclosed
US-11564896-B2 Methods of treatment FIRST WAVE BIO, INC. (US) 2023-01-31 US disclosed
EP-4045480-A1 PHARMACEUTICAL FORMULATIONS First Wave Bio, Inc. (US) 2022-08-24 EP disclosed
US-20220257584-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA SUBSIDIARY CORP. 2022-08-18 US disclosed
US-20220105057-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2022-04-07 US disclosed
US-20220079897-A1 METHODS OF TREATMENT FIRST WAVE BIO, INC. 2022-03-17 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 (12 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-20220257584-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS CLPP, MGAM, MMP8 KCNH2 4561/4885KDM4E 3942/4885ALDH1A1 2778/4885
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FH, CS, ECHS1 KCNH2 1025/4885KDM4E 2452/4885ALDH1A1 2174/4885
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics NCEH1, NRDC, LPL KCNH2 4200/4885KDM4E 3706/4885ALDH1A1 1703/4885
US-20220079897-A1 METHODS OF TREATMENT ACE2, ACE, SI KCNH2 1715/4885KDM4E 3249/4885ALDH1A1 3977/4885
US-11744812-B2 Methods of treatment ACE2, ACE, SI KCNH2 1715/4885KDM4E 3249/4885ALDH1A1 3977/4885
US-20230201143-A1 METHODS OF TREATMENT ACE2, ACE, SI KCNH2 1699/4885KDM4E 3157/4885ALDH1A1 3889/4885
US-20240165100-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS CLPP, MGAM, MMP8 KCNH2 4561/4885KDM4E 3942/4885ALDH1A1 2778/4885
US-11564896-B2 Methods of treatment ACE2, ACE, SI KCNH2 1699/4885KDM4E 3157/4885ALDH1A1 3889/4885
US-20220105057-A1 METHODS OF TREATMENT ACE2, ACE, SI KCNH2 1699/4885KDM4E 3157/4885ALDH1A1 3889/4885
US-12558349-B2 Methods of treating infections in overweight and obese patients using antibiotics CUTA, PADI4, FABP4 KCNH2 1684/4885KDM4E 1895/4885ALDH1A1 2750/4885
US-20230102999-A1 DEUTERATED NICLOSAMIDE FH, IDH2, ECHS1 KCNH2 726/4885KDM4E 2021/4885ALDH1A1 2305/4885
US-11793777-B2 Methods and compositions for treating conditions associated with an abnormal inflammatory response FH, CS, ECHS1 KCNH2 1112/4885KDM4E 2466/4885ALDH1A1 2230/4885

“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.