SCHEMBL2844451

SCHEMBL2844451

O=C(Nc1nccs1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP2D6 P10635 1/20 0.55
▸ FAAH O00519 2/20 0.52
▸ TSHR P16473 2/20 0.50
▸ EPHX2 P34913 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
Thiophene SCHEMBL28336832 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1CYP2D6FAAHTSHR
SCHEMBL28473283 0.86 CYP2D6 (0.55) SMN1; SMN2ALDH1A1CYP2D6FAAHTSHR
SCHEMBL15070490 0.83 MAPT (0.63) SMN1; SMN2ALDH1A1CYP2D6FAAHTSHR
SCHEMBL4231324 0.79 CYP2D6 (0.55) SMN1; SMN2ALDH1A1CYP2D6FAAHTSHR
SCHEMBL14335796 0.76 CYP2D6 (0.49) SMN1; SMN2ALDH1A1CYP2D6FAAHTSHR
SCHEMBL9072827 0.73 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1TSHREPHX2MEN1
SCHEMBL11938414 0.73 HTT (0.54) TSHR
SCHEMBL7375 0.72 — —
SCHEMBL30736465 0.72 RAB9A (0.44) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL15692069 0.72 TSHR (0.57) ALDH1A1TSHREPHX2MEN1KMT2A

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 SMN1; SMN2 1424/4885ALDH1A1 2649/4885CYP2D6 4104/4885

“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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