SCHEMBL4231324

SCHEMBL4231324

O=C(Nc1nccs1)N1CC[C@@H](F)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.55
▸ GAA P10253 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ SPR P35270 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FAAH O00519 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL15070490 0.82 MAPT (0.63) CYP2D6GAAMEN1KMT2AEPHX2
SCHEMBL2844451 0.79 SMN1; SMN2 (0.57) CYP2D6MEN1KMT2AEPHX2TSHR
SCHEMBL14335796 0.77 CYP2D6 (0.49) CYP2D6GAAMEN1KMT2AEPHX2
SCHEMBL4229553 0.76 SMN1; SMN2 (0.53) GAAMEN1KMT2AEPHX2KDM4E
SCHEMBL28473283 0.75 CYP2D6 (0.55) CYP2D6MEN1KMT2AEPHX2TSHR
SCHEMBL4231470 0.74 OGA (0.41) SMN1; SMN2
Thiophene SCHEMBL28336832 0.72 SMN1; SMN2 (0.50) CYP2D6MEN1KMT2AEPHX2TSHR
SCHEMBL14408025 0.72 CYP2D6 (0.49) CYP2D6GAAMEN1KMT2ATSHR
SCHEMBL2654124 0.71 NPC1 (0.77) GAAMEN1KMT2AEPHX2TSHR
SCHEMBL28171744 0.70 MEN1 (0.47) CYP2D6GAAMEN1KMT2AEPHX2

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-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-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 CYP2D6 4104/4885GAA 2177/4885MEN1 1705/4885

“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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