SCHEMBL4104752

SCHEMBL4104752

CC(C)(C)C(=O)C(=NNc1ccc(F)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.45
KMT2A Q03164 8/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
NPC1 O15118 7/20 0.43
RAB9A P51151 6/20 0.43
ALDH1A1 P00352 4/20 0.43
POLB P06746 3/20 0.43
ALOX12 P18054 1/20 0.43
XBP1 P17861 1/20 0.42
HTT P42858 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
EPHX2 P34913 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA4 P22748 1/20 0.39
GAA P10253 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
SCHEMBL4104750 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4109316 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4109318 1.00 MEN1 (0.45) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4112935 0.93 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4112937 0.93 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4115707 0.93 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4115701 0.93 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4110810 0.87 MAPT (0.51) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4110814 0.87 MAPT (0.51) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL4119799 0.87 EPHX2 (0.45) MEN1KMT2ASMN1; SMN2LMNANPC1

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 12 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
CN-101282926-B S1p3 receptor antagonist TOA EIYO LTD (JP) 2011-07-13 CN claimed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US claimed
CN-101282926-A S1p3 receptor antagonist TOA EIYO LTD (JP) 2008-10-08 CN 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
CN-101282926-B S1p3 receptor antagonist TOA EIYO LTD (JP) 2011-07-13 CN disclosed
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST TOA EIYO LTD. (JP) 2009-07-02 US disclosed
CN-101282926-A S1p3 receptor antagonist TOA EIYO LTD (JP) 2008-10-08 CN 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 MEN1 1023/4885KMT2A 865/4885SMN1; SMN2 2500/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MEN1 1287/4885KMT2A 2082/4885SMN1; SMN2 2497/4885

“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.