SCHEMBL4789200

SCHEMBL4789200

CC(C)(C)C1CCc2nc(S(=O)(=O)CC#N)c(C#N)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 2/20 0.34
HPGD P15428 3/20 0.33
KDM4E B2RXH2 6/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HTT P42858 2/20 0.32
RORC P51449 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL4705570 0.76 MAPT (0.37) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL4702566 0.76 KDM4E (0.32) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4702486 0.75 KDM4E (0.60) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL1101952 0.74 KDM4E (0.59) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL4788489 0.66 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL22690984 0.66 ALDH1A1 (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL5997040 0.65 TP53 (0.36) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL13447033 0.65 MAPT (0.35) ALDH1A1L3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL4788822 0.64 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4704161 0.63 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTSMN1; SMN2KMT2A

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
EP-1871776-A2 FUSED THIENO[2,3-B]PYRIDINE AND THIAZOLO[5,4-B]PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2008-01-02 EP disclosed
US-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 US disclosed
WO-2006098961-A2 FUSED THIENO [2, 3-B] PYRIDINE AND THIAZOLO [5, 4-B] PYRIDINE COMPOUNDS FOR INHIBITING KSP KINESIN ACTIVITY SCHERING CORPORATION (US) 2006-09-21 WO 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C ALDH1A1 2371/4885L3MBTL1 1826/4885MAPT 434/4885

“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.