SCHEMBL4121141

SCHEMBL4121141

O=C(C(=NNc1ccc(Cl)cc1)Nc1ccc(Cl)cc1)c1cccs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.67
HTT P42858 1/20 0.67
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 2/20 0.56
GAA P10253 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
APOBEC3A P31941 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
CASP3 P42574 1/20 0.48
CASP2 P42575 1/20 0.48

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
SCHEMBL4121136 1.00 LMNA (0.67) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL4102012 0.83 MEN1 (0.62) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL4102009 0.83 MEN1 (0.62) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL2556739 0.80 KMT2A (0.58) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL2556741 0.80 KMT2A (0.58) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL4102026 0.78 NPSR1 (0.62) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL4102023 0.78 NPSR1 (0.62) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL29740222 0.76 MAPT (0.65) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL1865063 0.74 RAB9A (0.75) LMNAHTTMEN1KMT2ARAB9A
SCHEMBL4115397 0.74 RAB9A (0.61) LMNAMEN1KMT2ARAB9ANPC1

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-8546452-B2 S1P3 receptor antagonist TOA EIYO LTD. (JP) 2013-10-01 US disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP 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-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 LMNA 2613/4885HTT 4148/4885MEN1 1287/4885

“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.