SCHEMBL5452283

SCHEMBL5452283

CC1CN(c2ncccc2S(C)(=O)=O)CCN1c1nc(Nc2ccc(F)c(F)c2)nc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
PTGS2 P35354 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL5795345 1.00 TDP1 (0.43) TDP1CA12CA1CA2CA9
SCHEMBL5793845 0.87 TDP1 (0.52) TDP1SMN1; SMN2USP2MAPTLMNA
SCHEMBL5463308 0.87 TDP1 (0.52) TDP1SMN1; SMN2USP2MAPTLMNA
SCHEMBL5456710 0.85 TERT (0.38) CA1CA2CA9
SCHEMBL14581613 0.85 TERT (0.38) CA1CA2CA9
SCHEMBL14581611 0.78 CTSL (0.51) TDP1SMN1; SMN2USP2MAPTLMNA
SCHEMBL5441964 0.78 CTSL (0.51) TDP1SMN1; SMN2USP2MAPTLMNA
SCHEMBL5448835 0.77 TDP1 (0.58) TDP1PTGS2SMN1; SMN2USP2MAPT
SCHEMBL5446681 0.76 TRPV1 (0.56) TDP1SMN1; SMN2USP2MAPT
SCHEMBL5451291 0.72 TRPV1 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070043049-A1 Substituted heterocyclic diarylamine analogues NEUROGEN CORPORATION (US) 2007-02-22 US claimed

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-20070043049-A1 Substituted heterocyclic diarylamine analogues GPR35, NPY1R, BDKRB1 TDP1 2752/4885CA12 3549/4885CA1 3304/4885

“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.