SCHEMBL4868568

SCHEMBL4868568

O=[N+]([O-])c1ccc(C2CSC(c3c(Cl)cccc3Cl)=N2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 3/20 0.35
RECQL P46063 1/20 0.35
MAPK1 P28482 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOS3 P29474 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPN7 P35236 1/20 0.33
PTPN12 Q05209 1/20 0.33

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
SCHEMBL12515981 0.80 KMT2A (0.45) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4872781 0.80 APP (0.39) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL12515401 0.75 KMT2A (0.38) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL12515913 0.72 NPC1 (0.42) KMT2AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL12515918 0.71 ABCC8 (0.36) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL255484 0.71 SLC18A3 (0.41) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL12515974 0.70 ALDH1A1 (0.38) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL255526 0.70 P2RY14 (0.39) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4871926 0.69 MAPT (0.46) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL4868575 0.69 MAPT (0.35) KMT2AMAPTMEN1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7326790-B2 Diphenylisoxazole compounds and hydro isomers thereof RIGEL PHARMACEUTICALS, INC. (US) 2008-02-05 US disclosed
US-20040254227-A1 Heterocyclic compounds and hydro isomers thereof MIDCAP FINANCIAL TRUST 2004-12-16 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-20040254227-A1 Heterocyclic compounds and hydro isomers thereof HAVCR2, PCNA, HCCS KMT2A 2974/4885MAPT 4266/4885MEN1 4165/4885

“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.