SCHEMBL10101290

SCHEMBL10101290

FC(F)(F)c1ccc2c(c1)C1C=CC[C@H]1[C@@H](c1ccccc1)N2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.79
KDM4E B2RXH2 5/20 0.79
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
ALDH1A1 P00352 4/20 0.79
GAA P10253 3/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
USP7 Q93009 1/20 0.61
KIF11 P52732 3/20 0.58
AR P10275 2/20 0.58
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
MCL1 Q07820 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GRK6 P43250 1/20 0.53
CYBB P04839 1/20 0.52
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL10101375 1.00 MAPT (0.79) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL15299944 0.87 GRK6 (0.73) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL14511548 0.80 MAPT (0.79) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL12723007 0.80 MAPT (0.79) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10101414 0.79 USP7 (0.63) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL23949811 0.78 MAPT (0.81) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL681674 0.78 MAPT (0.81) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL10101416 0.78 AR (0.67) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL13343726 0.77 KIF11 (0.63) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5524785 0.76 CA12 (0.80) MAPTKDM4EMEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
US-8110583-B2 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2012-02-07 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 US disclosed
US-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle MERCK PATENT GMBH (DE) 2008-09-11 US 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-20080221118-A1 treatment of tumors; 1,5-bis(4'-(N-hydroxyamidino)phenoxy)pentane; maintain cells in the G2/M cell cycle CCNE1, CCNA1, CCNT1 MAPT 4565/4885KDM4E 3047/4885MEN1 125/4885

“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.