SCHEMBL3592514

SCHEMBL3592514

Cc1c(S(=O)(=O)N2CCCCC2CN2CCN(C(=O)O)CC2)cnn1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CASP3 P42574 1/20 0.36
NAMPT P43490 1/20 0.36
HTR7 P34969 3/20 0.35
HTR1D P28221 2/20 0.35
HTR2B P41595 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CHRM5 P08912 1/20 0.35
POLB P06746 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
SCHEMBL3596139 0.82 KMT2A (0.47) CASP3HTR7HTR1DHTR2BHTR1A
SCHEMBL3584781 0.82 NAMPT (0.38) TP53MAPTCASP3NAMPTHTR7
SCHEMBL3598308 0.81 NAMPT (0.40) TP53MAPTCASP3NAMPTALDH1A1
SCHEMBL13036997 0.80 KMT2A (0.52) TP53MAPTALDH1A1KMT2AMCOLN3
SCHEMBL3595571 0.77 FPR2 (0.41) CASP3ALDH1A1KMT2A
SCHEMBL3582654 0.76 CD274 (0.42) TP53KMT2APOLB
SCHEMBL3591997 0.74 ALDH1A1 (0.47) ALDH1A1KMT2APOLB
SCHEMBL3590459 0.73 MMP1 (0.54)
SCHEMBL3580892 0.72 GAA (0.34) CASP3
SCHEMBL3595078 0.68 BRD4 (0.35)

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
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US 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

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 TP53 1114/4885MAPT 787/4885CASP3 312/4885

“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.