SCHEMBL13790752

SCHEMBL13790752

O=S(=O)(c1ccccc1)n1c(-c2cccc(Cc3cc4ccccc4n3SOOc3ccccc3)c2)cc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 1/20 0.44
CTSL P07711 1/20 0.39
BCL2 P10415 1/20 0.36
BID P55957 1/20 0.36
MCL1 Q07820 1/20 0.36
ACLY P53396 5/20 0.36
NR1H2 P55055 1/20 0.36
RECQL P46063 1/20 0.34
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
ATR Q13535 2/20 0.32
ATRIP Q8WXE1 2/20 0.32
NOD2 Q9HC29 2/20 0.32
NOD1 Q9Y239 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32

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
SCHEMBL424565 0.83 CA12 (0.56) CA12CA9CA2CTSLBCL2
SCHEMBL13790750 0.80 HDAC3 (0.46) CA12CA9CA2BCL2BID
SCHEMBL13790748 0.80 CA12 (0.44) CA12CA9CA2CTSLBCL2
SCHEMBL10176186 0.80 CA12 (0.52) CA12CA9CA2CTSLACLY
SCHEMBL10176320 0.79 CA12 (0.51) CA12CA9CA2CTSLBCL2
SCHEMBL13790948 0.79 CA12 (0.43) CA12CA9CA2CTSLBCL2
SCHEMBL3558164 0.71 CA12 (0.78) CA12CA9CA2ACLYRECQL
SCHEMBL10176557 0.68 CA12 (0.50) CA12CA9CA2ACLYNR1H2
SCHEMBL422049 0.67 CA12 (0.49) CA12CA9CA2ACLYNR1H2
SCHEMBL428054 0.67 CA12 (0.57) CA12CA9CA2CTSLACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-06-04 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 (1 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-20090142832-A1 Indoles, Derivatives, and Analogs Thereof and Uses Therefor TUBB, TUBB1, TUBB6 CA12 4715/4885CA9 4728/4885CA2 4552/4885

“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.