SCHEMBL19798397

SCHEMBL19798397

CC(C)(C)NCCCNS(=O)(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
KDM4E B2RXH2 1/20 0.66
LMNA P02545 1/20 0.66
PKM P14618 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
MAPK1 P28482 1/20 0.59
NPSR1 Q6W5P4 2/20 0.58
TSHR P16473 1/20 0.55
TBXA2R P21731 2/20 0.54
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
KEAP1 Q14145 1/20 0.47
HTR7 P34969 1/20 0.47

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
SCHEMBL12403762 0.90 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL23682725 0.82 ATM (0.57) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL10453840 0.82 ALDH1A1 (0.96) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL10312370 0.81 ALDH1A1 (0.68) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12640170 0.80 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL14045921 0.80 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL9577143 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL21048464 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL12672471 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; SMN2
SCHEMBL8349699 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ELMNAPKMSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof Shanghai De Novo Pharmatech Co., Ltd. (CN) 2019-02-12 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 US disclosed
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF Shanghai De Novo Pharmatech Co., Ltd. (CN) 2018-01-25 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-10202388-B2 Fused-ring compounds, pharmaceutical composition and uses thereof IDO1, IDO2, TDO2 ALDH1A1 2128/4885KDM4E 159/4885LMNA 4813/4885
US-20180022752-A1 FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF IDO1, IDO2, TDO2 ALDH1A1 2128/4885KDM4E 159/4885LMNA 4813/4885

“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.