SCHEMBL4115701

SCHEMBL4115701

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
ALOX12 P18054 1/20 0.48
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
MAPT P10636 4/20 0.47
HTT P42858 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPK1 P28482 3/20 0.47
XBP1 P17861 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
POLB P06746 1/20 0.41
ABCC9 O60706 2/20 0.41
ABCC8 Q09428 2/20 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
SCHEMBL4115707 1.00 ALDH1A1 (0.48) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4104750 0.93 MEN1 (0.45) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4104752 0.93 MEN1 (0.45) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4102776 0.93 S1PR3 (0.48) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4102773 0.93 S1PR3 (0.48) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4109316 0.93 MEN1 (0.45) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4109318 0.93 MEN1 (0.45) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4115520 0.92 ALDH1A1 (0.47) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4110161 0.92 MEN1 (0.48) ALDH1A1LMNAALOX12MEN1KMT2A
SCHEMBL4110158 0.92 MEN1 (0.48) ALDH1A1LMNAALOX12MEN1KMT2A

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 ALDH1A1 4348/4885LMNA 3055/4885ALOX12 4026/4885
US-20090170895-A1 S1P3 RECEPTOR ANTAGONIST S1PR3, S1PR5, GPR3 ALDH1A1 3155/4885LMNA 2613/4885ALOX12 2109/4885

“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.