SCHEMBL3579423

SCHEMBL3579423

CCOC(=O)c1[nH]c(C(N)=O)c(S(=O)(=O)N2CCCC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPGD P15428 2/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3586118 0.89 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL3576836 0.86 CYP1A2 (0.53) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3584966 0.83 SMN1; SMN2 (0.39) MAPTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL3586569 0.81 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL5036089 0.76 ALOX15 (0.55) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL3578518 0.75 TUBB4A (0.61) ALDH1A1MAPTKMT2AKDM4EMAPK1
SCHEMBL3589987 0.69 CRHBP (0.41) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2876735 0.69 LMNA (0.56) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11652356 0.69 CYP1A2 (0.80) ALDH1A1MAPTKMT2AMAPK1CYP1A2
SCHEMBL3579446 0.69 CRHBP (0.53) ALDH1A1MAPTMAPK1TSHRNPSR1

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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-05-06 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-20100113421-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RTF1, RNGTT, POLR2E ALDH1A1 2016/4885MAPT 1265/4885MEN1 4584/4885

“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.