SCHEMBL3594756

SCHEMBL3594756

CCOc1ccc(C2CCCC2)cc1-c1csc(N)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.37
MAPT P10636 4/20 0.37
RECQL P46063 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 2/20 0.37
USP2 O75604 1/20 0.37
PRNP P04156 1/20 0.37
ALOX15 P16050 1/20 0.37
BRCA1 P38398 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EGFR P00533 1/20 0.37
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 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
SCHEMBL3600047 0.99 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3580804 0.86 ALDH1A1 (0.60) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1415171 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3594753 0.85 CYP3A4 (0.39) SMN1; SMN2MAPK1AGPAT2TYRPLAU
SCHEMBL3600043 0.84 TYR (0.40) SMN1; SMN2MAPK1AGPAT2NPSR1TYR
SCHEMBL1724259 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1415942 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13199002 0.73 MAPT (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL13198993 0.72 MAPT (0.45) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3580803 0.71 PDE4B (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
EP-1984361-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-29 EP claimed
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 WO claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US disclosed
EP-1984361-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-10-29 EP disclosed
WO-2007077394-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-07-12 WO 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 ALDH1A1 838/4885KDM4E 114/4885MEN1 1400/4885

“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.