SCHEMBL4757582

SCHEMBL4757582

CC(C)(C)C1CCc2nc3sc4c(=O)[nH]nnc4c3cc2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ RORC P51449 1/20 0.35
▸ EEF2K O00418 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 4/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL13954541 0.72 RORC (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5996876 0.71 RORC (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL4704464 0.71 RAB9A (0.62) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5997088 0.69 RORC (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5995320 0.68 RORC (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL4704685 0.68 MAPT (0.61) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL22690991 0.68 MAPT (0.61) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL13154827 0.68 MAPT (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5996088 0.68 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5998237 0.67 RORC (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPK1

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 2371/4885KDM4E 501/4885SMN1; SMN2 2022/4885

“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.

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