SCHEMBL16558563

SCHEMBL16558563

COC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(CN4CCCCC4)cc3)co2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.49
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HRH3 Q9Y5N1 3/20 0.43
GLA P06280 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL12468626 0.84 MEN1 (0.61) CHKAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL12468686 0.76 MEN1 (0.60) MAPK1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL228900 0.75 CHKA (0.71) CHKAALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL1335735 0.75 CHKA (0.71) CHKAALDH1A1KDM4EMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL28573230 0.74 CHKA (0.69) CHKAALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL2873979 0.74 CHKA (0.72) CHKAALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL12468704 0.73 POLB (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
Hydrochloric Acid SCHEMBL3882134 0.73 CHKA (0.71) CHKAALDH1A1KDM4EMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL12468998 0.72 POLB (0.54) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL20210248 0.71 CHKA (0.77) CHKAALDH1A1KDM4EMAPK1SMN1; SMN2

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-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 US disclosed
US-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES ARAVIVE BIOLOGICS, INC. 2015-03-12 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-20150072976-A1 SUBSTITUTED BENZAMIDES AND THEIR USES NISCH, BTD, NAAA CHKA 1753/4885ALDH1A1 483/4885KDM4E 1575/4885

“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.