SCHEMBL3755622

SCHEMBL3755622

Nn1cnc2ccsc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PDPK1 O15530 1/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.40
HDAC1 Q13547 1/20 0.39
AXL P30530 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
ADORA1 P30542 2/20 0.39
PDE7A Q13946 5/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE7B Q9NP56 1/20 0.36
USP7 Q93009 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
SCHEMBL1616707 0.78 MEN1 (0.63) MEN1KMT2APDPK1PARP1AXL
SCHEMBL2733196 0.75 MEN1 (0.59) MEN1KMT2APDPK1PARP1AXL
SCHEMBL12761342 0.74 MEN1 (0.58) MEN1KMT2APDPK1PARP1HDAC1
SCHEMBL4161919 0.74 MEN1 (0.50) MEN1KMT2APDPK1PARP1MKNK1
SCHEMBL2993563 0.73 HDAC1 (0.49) MEN1KMT2APDPK1PARP1KDM4E
SCHEMBL3598565 0.73 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL16143707 0.70 KMT2A (0.36) MEN1KMT2APDPK1PARP1KDM4E
SCHEMBL12862604 0.70 MEN1 (0.54) MEN1KMT2APDPK1PARP1KDM4E
SCHEMBL3607160 0.68 MAPT (0.56) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL18601303 0.67 MEN1 (0.47) MEN1KMT2APDPK1PARP1HDAC1

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-8962639-B2 Potassium channel modulators ABBVIE INC. (US) 2015-02-24 US disclosed
US-20100305109-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2010-12-02 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-20100305109-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNJ2 MEN1 1599/4885KMT2A 642/4885PDPK1 832/4885

“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.