SCHEMBL12435995

SCHEMBL12435995

CCC(=O)Nc1cc([S+]([O-])Nc2cc(OC)c(OC)c(OC)c2)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
AHR P35869 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12435909 0.78 ATM (0.52) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12435989 0.78 SMN1; SMN2 (0.58) HTTSMN1; SMN2MAPTMAPK1ALDH1A1
SCHEMBL12435963 0.76 MAPT (0.58) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12435911 0.75 KDM4E (0.45) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12436008 0.74 SMN1; SMN2 (0.56) HTTSMN1; SMN2MAPK1ALDH1A1NPSR1
SCHEMBL12435938 0.74 HTT (0.43) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12435992 0.74 SMN1; SMN2 (0.45) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12435966 0.73 MAPT (0.50) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12435912 0.73 HTT (0.44) HTTSMN1; SMN2MAPTMAPK1AHR
SCHEMBL12435910 0.73 KMT2A (0.44) HTTSMN1; SMN2MAPTMAPK1AHR

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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 US disclosed
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 HTT 1248/4885SMN1; SMN2 4598/4885MAPT 3474/4885

“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.