SCHEMBL22078080

SCHEMBL22078080

Cn1c2ccc(-n3ccnc3)cc2c2cc(F)c(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 10/20 0.46
DHODH Q02127 1/20 0.43
PTPN11 Q06124 1/20 0.42
CYP3A4 P08684 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
HTT P42858 1/20 0.39
STING1 Q86WV6 1/20 0.39
TBXAS1 P24557 2/20 0.38
CNR2 P34972 1/20 0.37
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL20536624 0.82 ADH5 (0.41) ADH5DHODHCYP3A4BAZ2BSTING1
SCHEMBL30772941 0.82 ADH5 (0.41) ADH5DHODHCYP3A4BAZ2BSTING1
SCHEMBL22077986 0.82 ADH5 (0.44) ADH5DHODHPTPN11CYP3A4BAZ2B
SCHEMBL22078072 0.81 ADH5 (0.53) ADH5CYP3A4BAZ2BHTTTBXAS1
SCHEMBL22078079 0.79 ADH5 (0.40) ADH5DHODHSTING1TBXAS1CNR2
SCHEMBL16126788 0.75 CYP11B1 (0.53) CYP3A4HTTENPP2MKNK1MKNK2
SCHEMBL22078076 0.75 TBXAS1 (0.53) ADH5CYP3A4BAZ2BTBXAS1
SCHEMBL22077255 0.75 ESR1 (0.48) ADH5CYP3A4BAZ2BTBXAS1
SCHEMBL22078064 0.74 ADH5 (0.53) ADH5DHODHCYP3A4BAZ2BHTT
SCHEMBL22078070 0.74 TBXAS1 (0.46) CYP3A4HTTTBXAS1

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-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 93/4885DHODH 302/4885PTPN11 3157/4885
US-20200181129-A1 CARBAZOLE COMPOUNDS AND METHODS OF USE THEREOF GSR, CBR3, CBR1 ADH5 93/4885DHODH 302/4885PTPN11 3157/4885

“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.