SCHEMBL4110814

SCHEMBL4110814

CC(C)(C)C(=O)C(=NNc1ccc(Br)cc1)Nc1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
HTT P42858 2/20 0.51
S1PR3 Q99500 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPK1 P28482 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 5/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40

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
SCHEMBL4110810 1.00 MAPT (0.51) MAPTHTTS1PR3MEN1KMT2A
SCHEMBL4114920 0.91 S1PR3 (0.47) MAPTS1PR3MEN1KMT2AMTOR
SCHEMBL4114923 0.91 S1PR3 (0.47) MAPTS1PR3MEN1KMT2AMTOR
SCHEMBL4109401 0.90 RAB9A (0.51) MAPTHTTS1PR3MEN1KMT2A
SCHEMBL4109406 0.90 RAB9A (0.51) MAPTHTTS1PR3MEN1KMT2A
SCHEMBL4109680 0.89 S1PR3 (0.46) MAPTS1PR3MEN1KMT2AMTOR
SCHEMBL4109676 0.89 S1PR3 (0.46) MAPTS1PR3MEN1KMT2AMTOR
SCHEMBL4108910 0.88 S1PR3 (0.58) MAPTHTTS1PR3MEN1KMT2A
SCHEMBL4108912 0.88 S1PR3 (0.58) MAPTHTTS1PR3MEN1KMT2A
SCHEMBL4104752 0.87 MEN1 (0.45) MAPTHTTMEN1KMT2AMAPK1

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 11 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
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 MAPT 3528/4885HTT 4487/4885S1PR3 1/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 MAPT 4848/4885HTT 4148/4885S1PR3 1/4885

“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.