SCHEMBL2979871

SCHEMBL2979871

COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
POLB P06746 3/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ACLY P53396 3/20 0.55
MEN1 O00255 1/20 0.50
APAF1 O14727 1/20 0.50
GRK2 P25098 1/20 0.50
S100A4 P26447 1/20 0.50
CASP6 P55212 1/20 0.50
KMT2A Q03164 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
NPSR1 Q6W5P4 2/20 0.49
MCL1 Q07820 1/20 0.49
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
WDR5 P61964 3/20 0.48

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
SCHEMBL2994570 0.83 ALDH1A1 (0.79) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL4836486 0.82 ALDH1A1 (0.56) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL2987399 0.81 ACLY (0.60) ALDH1A1POLBACLYMEN1KMT2A
SCHEMBL23833756 0.75 POLB (0.56) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL3248880 0.75 LMNA (0.69) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL8752412 0.75 L3MBTL1 (1.00) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL2992284 0.74 ALDH1A1 (0.67) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL27182666 0.74 ALDH1A1 (0.67) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL13265920 0.74 HPGD (0.57) ALDH1A1POLBLMNAHPGDL3MBTL1
SCHEMBL2986118 0.74 ACLY (0.53) ALDH1A1LMNAACLYMEN1KMT2A

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-20100179168-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS BLANEY EMMA LOUISE 2010-07-15 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-20100179168-A1 ARYL AND HETEROARYL SULPHONAMIDES AS GROWTH HORMONE SECRETAGOGUE RECEPTOR AGONISTS GHSR, GHRHR, GIPR ALDH1A1 2521/4885POLB 4727/4885LMNA 4700/4885

“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.