SCHEMBL2869877

SCHEMBL2869877

CC(=O)c1cccc(-c2ccc(-n3ccs/c3=N\C(=O)N3CCCC3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ATM Q13315 1/20 0.38
TDP2 O95551 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
MAP4K1 Q92918 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ERN1 O75460 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
DHFR P00374 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL2869879 1.00 POLB (0.42) POLBHRH3ATMTDP2HRH4
SCHEMBL2863209 0.89 SMN1; SMN2 (0.36) HRH3ALDH1A1HPGDHTTMEN1
SCHEMBL2863212 0.89 SMN1; SMN2 (0.36) HRH3ALDH1A1HPGDHTTMEN1
SCHEMBL2867016 0.88 GRIN2B (0.38) POLBALDH1A1TP53HPGDRAB9A
SCHEMBL2867012 0.88 GRIN2B (0.38) POLBALDH1A1TP53HPGDRAB9A
SCHEMBL2871574 0.86 HPGD (0.43) POLBALDH1A1HPGDMEN1RAB9A
SCHEMBL2871550 0.86 RAB9A (0.39) ALDH1A1TP53HPGDMEN1RAB9A
SCHEMBL2871570 0.86 HPGD (0.43) POLBALDH1A1HPGDMEN1RAB9A
SCHEMBL2871553 0.86 RAB9A (0.39) ALDH1A1TP53HPGDMEN1RAB9A
SCHEMBL2874456 0.85 NPC1 (0.42) ALDH1A1TP53HPGDMEN1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS ABBOTT LABORATORIES (US) 2009-09-03 US disclosed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM POLB 3978/4885HRH3 290/4885ATM 1195/4885
US-20090221648-A1 COMPOSITIONS FOR TREATMENT OF COGNITIVE DISORDERS CHRNA4, CHRNA5, CHRNA3 POLB 4097/4885HRH3 24/4885ATM 3534/4885

“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.