SCHEMBL22077041

SCHEMBL22077041

NC(=O)CCn1c2ccc(C(=O)O)cc2c2ccc(-n3ccnc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 10/20 0.46
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP4Z1 Q86W10 1/20 0.43
TBXAS1 P24557 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 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
SCHEMBL30772967 0.96 ADH5 (0.46) ADH5ALDH1A1HPGDCYP4Z1TBXAS1
SCHEMBL20536337 0.96 ADH5 (0.46) ADH5ALDH1A1HPGDCYP4Z1TBXAS1
SCHEMBL22077998 0.95 ADH5 (0.49) ADH5ALDH1A1HPGDCYP4Z1TBXAS1
SCHEMBL20536593 0.95 ADH5 (0.49) ADH5CYP4Z1TBXAS1KDM4ECYP3A4
SCHEMBL30772970 0.95 ADH5 (0.49) ADH5CYP4Z1TBXAS1KDM4ECYP3A4
SCHEMBL25492135 0.87 CYP3A4 (0.50) ADH5ALDH1A1HPGDTBXAS1KDM4E
SCHEMBL30772952 0.84 HTT (0.53) ADH5ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20535813 0.84 HTT (0.53) ADH5ALDH1A1HPGDKDM4ECYP3A4
SCHEMBL20536447 0.83 TBXAS1 (0.48) ADH5TBXAS1KDM4E
SCHEMBL30772956 0.83 TBXAS1 (0.48) ADH5TBXAS1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655244-B2 Carbazole compounds and methods of use thereof GSNO THERAPEUTICS, INC. (US) 2023-05-23 US disclosed
US-11655244-B2 Carbazole compounds and methods of use thereof GSNO THERAPEUTICS, INC. (US) 2023-05-23 US disclosed
US-20200181129-A1 CARBAZOLE COMPOUNDS AND METHODS OF USE THEREOF GSNO THERAPEUTICS, INC. 2020-06-11 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-11655244-B2 Carbazole compounds and methods of use thereof GSR, CBR3, CBR1 ADH5 93/4885ALDH1A1 438/4885HPGD 57/4885
US-20200181129-A1 CARBAZOLE COMPOUNDS AND METHODS OF USE THEREOF GSR, CBR3, CBR1 ADH5 93/4885ALDH1A1 438/4885HPGD 57/4885

“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.