SCHEMBL2869245

SCHEMBL2869245

N=C1SCCN1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INMT O95050 2/20 0.39
MAPT P10636 4/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ADRB1 P08588 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRNA1 P02708 1/20 0.36
CHRNA7 P36544 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
CHIA Q9BZP6 1/20 0.36
SMN1; SMN2 Q16637 3/20 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
Bromide SCHEMBL10806088 0.98 INMT (0.38) INMTMAPTHTR3EHTR3BADRB1
SCHEMBL10800977 0.82 INMT (0.40) INMTMAPTSIGMAR1CHRNA1CHRNA7
SCHEMBL25003075 0.81 INMT (0.39) INMTMAPTSIGMAR1NPC1RAB9A
Bromide SCHEMBL10800956 0.79 INMT (0.38) INMTMAPTSIGMAR1NPC1RAB9A
SCHEMBL25001893 0.77 HTR3E (0.42) INMTMAPTHTR3EHTR3BADRB1
Timirdine SCHEMBL10799352 0.74 ALDH1A1 (0.49) INMTMAPTCHRNA1CHRNA7MEN1
Bromide SCHEMBL10800944 0.72 NOTUM (0.42)
SCHEMBL2581074 0.72 CYP1A2 (0.40) INMTMAPTCHRNA1CHRNA7NPC1
SCHEMBL7507814 0.70 CHRNA7 (0.68) INMTMAPTSIGMAR1CHRNA1CHRNA7
SCHEMBL25001900 0.70 ADRB1 (0.42) INMTADRB1CHRNA1CHRNA7RAB9A

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 5 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 disclosed
US-8383657-B2 Thiazolylidine urea and amide derivatives and methods of use thereof ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP disclosed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO 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 (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-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM INMT 330/4885MAPT 465/4885HTR3E 1333/4885

“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.