SCHEMBL3476470

SCHEMBL3476470

O=C(CNCc1ccco1)Nc1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 8/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 2/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.40
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 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
SCHEMBL3476740 0.87 TUBB4A (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3475511 0.84 TUBB4A (0.38) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL3476332 0.83 KDM4E (0.44) KDM4EALDH1A1KMT2ATUBB4ATUBB
SCHEMBL3475543 0.81 NAMPT (0.45) KDM4EGAA
SCHEMBL3476614 0.80 CYP1A2 (0.46) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3477619 0.80 TUBB4A (0.38) KDM4EALDH1A1POLBSMN1; SMN2GAA
SCHEMBL3476882 0.80 TUBB4A (0.40) KDM4EALDH1A1POLBMAPTTUBB4A
SCHEMBL3478011 0.80 TUBB4A (0.48) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3476968 0.80 TUBB4A (0.46) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL3476433 0.79 TUBB4A (0.39) KDM4EALDH1A1POLBSMN1; SMN2GAA

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors MERCK SHARP & DOHME CORP. 2010-07-15 US claimed

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-20100179122-A1 Non-Nucleoside Reverse Transcriptase Inhibitors RNGTT, RTF1, POLR1E KDM4E 1660/4885ALDH1A1 1178/4885POLB 33/4885

“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.