SCHEMBL4206522

SCHEMBL4206522

NC(=O)c1ccsc1C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK10 P53779 2/20 0.44
PARP1 P09874 12/20 0.44
CDC7 O00311 1/20 0.43
HTT P42858 1/20 0.41
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
PARP2 Q9UGN5 2/20 0.39
PLAT P00750 1/20 0.39
PTK2 Q05397 1/20 0.38
CHEK1 O14757 1/20 0.38

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
SCHEMBL20521813 0.88 MAPT (0.52) MEN1ALDH1A1MAPTMAPK1KMT2A
Hydrochloric Acid SCHEMBL31247929 0.84 PTPN2 (0.39) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL5556428 0.82 PARP1 (0.48) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL17164879 0.81 MAPT (0.44) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL31079000 0.74 IKBKB (0.40) MAPK10PARP1CDC7IKBKBCHUK
SCHEMBL2555585 0.73 MAPK10 (0.38) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL23413476 0.72 PTPN2 (0.46) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL28325510 0.71 PARP1 (0.57) PARP1CDC7IKBKBCHUKPARP2
SCHEMBL2550311 0.70 ABCC1 (0.38) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL14862766 0.70 MAPK10 (0.40) MEN1ALDH1A1MAPTMAPK1KMT2A

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
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 US disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 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 (2 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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP MEN1 1076/4885ALDH1A1 266/4885MAPT 2490/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT MEN1 1011/4885ALDH1A1 876/4885MAPT 1633/4885

“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.