SCHEMBL3937548

SCHEMBL3937548

O=S(=O)(c1cccnc1)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.52
NAMPT P43490 9/20 0.51
NFE2L2 Q16236 1/20 0.49
HTR6 P50406 1/20 0.46
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL9232776 0.84 NAPRT (0.68) NAPRTNAMPTNFE2L2HTR6MEN1
SCHEMBL31404866 0.84 NAPRT (0.68) NAPRTNAMPTNFE2L2HTR6MEN1
SCHEMBL17398051 0.84 NAPRT (0.50) NAPRTNAMPTNFE2L2HTR6MEN1
1,3,5-Trichlorobenzene SCHEMBL28321160 0.82 NAPRT (0.79) NAPRTNAMPTNFE2L2MEN1LMNA
SCHEMBL3925535 0.81 MAPT (0.51) NAMPTMEN1LMNAMAPTKMT2A
SCHEMBL10935860 0.79 HTR6 (0.61) NAPRTNAMPTHTR6
SCHEMBL3481929 0.77 ALDH1A1 (0.63) NAPRTNAMPTNFE2L2LMNAALDH1A1
SCHEMBL27998544 0.77 HTR6 (0.64) HTR6MEN1MAPTKMT2AALDH1A1
SCHEMBL1961367 0.77 LMNA (0.50) HTR6MEN1LMNAMAPTKMT2A
SCHEMBL1958683 0.76 ALDH1A1 (0.52) HTR6MEN1KMT2AALDH1A1KDM4E

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
US-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2009-04-09 US disclosed
US-7504401-B2 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-20080280891-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. (US) 2008-11-13 US disclosed
WO-2008008059-A1 ANTI-CANCER AGENTS ANS USES THEREOF LOCUS PHARMACEUTICALS, INC. (US) 2008-01-17 WO disclosed
US-20060270686-A1 Anti-cancer agents and uses thereof LOCUS PHARMACEUTICALS, INC. 2006-11-30 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 (3 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-20090093479-A1 ANTI-CANCER AGENTS AND USES THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NAPRT 1523/4885NAMPT 3423/4885NFE2L2 593/4885
US-20060270686-A1 Anti-cancer agents and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, MCL1, CBR3 NAPRT 1509/4885NAMPT 3328/4885NFE2L2 568/4885
US-20080280891-A1 Anti-cancer agents and uses thereof NR2E3, RB1, CBR3 NAPRT 1345/4885NAMPT 1529/4885NFE2L2 436/4885

“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.