SCHEMBL29406230

SCHEMBL29406230

COc1c(N2CCC(n3cc(C)nn3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.68
▸ KDM4E B2RXH2 9/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ HPGD P15428 4/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ POLB P06746 3/20 0.66
▸ HSD17B10 Q99714 2/20 0.66
▸ OPRM1 P35372 2/20 0.66
▸ PRKD3 O94806 1/20 0.66
▸ ALOX15 P16050 1/20 0.66
▸ CLK2 P49760 1/20 0.66
▸ CLK4 Q9HAZ1 1/20 0.66
▸ LMNA P02545 2/20 0.60
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ CYP2C19 P33261 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.55
▸ ATM Q13315 1/20 0.53
▸ CHRM2 P08172 1/20 0.53

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
SCHEMBL8156650 1.00 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8129298 0.91 KCNH2 (0.58) KCNH2KDM4EALDH1A1HPGDTDP1
Ammonia Solution, Strong SCHEMBL8131738 0.90 KCNH2 (0.57) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8134406 0.87 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8133566 0.87 KCNH2 (0.68) KCNH2KDM4EALDH1A1HPGDTDP1
Monoethanolamine SCHEMBL8134338 0.86 KCNH2 (0.56) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL8136907 0.86 KCNH2 (0.70) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL9292875 0.85 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL9773824 0.84 KCNH2 (0.79) KCNH2KDM4EALDH1A1HPGDTDP1
SCHEMBL9293428 0.84 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074995-A1 METHODS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH AN ABNORMAL INFLAMMATORY RESPONSES FIRST WAVE BIO, INC. 2024-03-07 — — US 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-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 (8 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-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-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-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-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.

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