SCHEMBL22077255

SCHEMBL22077255

Cn1c2ccc(-n3ccnc3)cc2c2ccc(/C=C/C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
MAOB P27338 3/20 0.46
TBXAS1 P24557 7/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLA2G4A P47712 1/20 0.41
BAZ2B Q9UIF8 1/20 0.39
ADH5 P11766 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MITF O75030 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL22078001 0.83 ESR1 (0.44) ESR1MAOBTBXAS1CYP1A2CYP3A4
SCHEMBL25492152 0.83 ESR1 (0.44) ESR1MAOBTBXAS1CYP1A2CYP3A4
SCHEMBL22077997 0.83 ESR1 (0.44) ESR1MAOBTBXAS1CYP1A2CYP3A4
SCHEMBL22078072 0.81 ADH5 (0.53) TBXAS1CYP3A4BAZ2BADH5KDM4E
SCHEMBL22077254 0.80 ESR1 (0.41) ESR1MAOBTBXAS1CYP1A2CYP3A4
SCHEMBL1238620 0.77 ESR1 (0.67) ESR1MAOBTBXAS1CYP1A2CYP3A4
SCHEMBL1238616 0.77 ESR1 (0.67) ESR1MAOBTBXAS1CYP1A2CYP3A4
SCHEMBL22078076 0.77 TBXAS1 (0.53) TBXAS1CYP3A4CYP2C19PLA2G4ABAZ2B
Hydrochloric Acid SCHEMBL7328751 0.76 ESR1 (0.65) ESR1MAOBTBXAS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7328757 0.76 ESR1 (0.65) ESR1MAOBTBXAS1CYP1A2CYP3A4

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 ESR1 1769/4885MAOB 181/4885TBXAS1 1031/4885
US-20200181129-A1 CARBAZOLE COMPOUNDS AND METHODS OF USE THEREOF GSR, CBR3, CBR1 ESR1 1769/4885MAOB 181/4885TBXAS1 1031/4885

“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.