SCHEMBL4112935

SCHEMBL4112935

CC(C)(C)C(=O)/C(=N\Nc1ccc(Br)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
CASP6 P55212 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41

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
SCHEMBL4112937 1.00 KMT2A (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4104752 0.93 MEN1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4112760 0.93 S1PR3 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4108044 0.93 S1PR3 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4109318 0.93 MEN1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4112762 0.93 S1PR3 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4108040 0.93 S1PR3 (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4109316 0.93 MEN1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4104750 0.93 MEN1 (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4103581 0.92 RAB9A (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 8 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 claimed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US claimed
EP-1935874-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2008-06-25 EP claimed
US-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2019-04-25 US disclosed
WO-2017190077-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER WAYNE STATE UNIVERSITY (US) 2017-11-02 WO disclosed
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 (2 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-20190117596-A1 TY-52156 COMPOUNDS FOR THE TREATMENT OF CANCER S1PR3, S1PR1, S1PR4 KMT2A 865/4885MEN1 1023/4885NPC1 4153/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 KMT2A 2082/4885MEN1 1287/4885NPC1 512/4885

“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.