SCHEMBL25252234

SCHEMBL25252234

CC(=O)OCCOc1ccc(-n2cccn2)c([C@H](C)Oc2cc3cc(C(=O)O)ccc3nc2N2C(=O)c3ccccc3C2=O)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 9/20 0.43
CYP2C9 P11712 4/20 0.39
CYP2C8 P10632 2/20 0.39
CYP1A2 P05177 2/20 0.35
HPSE Q9Y251 6/20 0.34
ALDH1A1 P00352 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL25292326 1.00 KCNH2 (0.43) KCNH2CYP2C9CYP2C8CYP1A2HPSE
SCHEMBL21988910 0.93 KCNH2 (0.42) KCNH2CYP2C9CYP2C8CYP1A2ALDH1A1
SCHEMBL21988912 0.93 KCNH2 (0.42) KCNH2CYP2C9CYP2C8CYP1A2ALDH1A1
SCHEMBL21988999 0.91 KCNH2 (0.45) KCNH2CYP2C9CYP2C8CYP1A2
SCHEMBL21989001 0.91 KCNH2 (0.45) KCNH2CYP2C9CYP2C8CYP1A2
SCHEMBL22045568 0.80 KCNH2 (0.34) KCNH2HPSEALDH1A1HSD17B10
SCHEMBL21988938 0.78 KCNH2 (0.44) KCNH2CYP2C9CYP2C8CYP1A2ALDH1A1
SCHEMBL21988939 0.78 KCNH2 (0.44) KCNH2CYP2C9CYP2C8CYP1A2ALDH1A1
SCHEMBL25301370 0.78 KCNH2 (0.49) KCNH2CYP2C9CYP2C8CYP1A2HPSE
SCHEMBL25301369 0.78 KCNH2 (0.49) KCNH2CYP2C9CYP2C8CYP1A2HPSE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 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 (2 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-11702405-B2 Chemical compounds HBZ, HBB, HBS1L KCNH2 1300/4885CYP2C9 66/4885CYP2C8 284/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L KCNH2 1300/4885CYP2C9 66/4885CYP2C8 284/4885

“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.