SCHEMBL10101416

SCHEMBL10101416

CCc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
USP7 Q93009 1/20 0.61
KIF11 P52732 2/20 0.58
MAPT P10636 7/20 0.54
KDM4E B2RXH2 5/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
GAA P10253 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
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
TP53 P04637 1/20 0.53
CYBB P04839 1/20 0.52
POLB P06746 1/20 0.51

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
SCHEMBL15299959 0.87 GRK6 (0.73) ARMAPTKDM4EMEN1KMT2A
SCHEMBL10101414 0.81 USP7 (0.63) ARUSP7KIF11MAPTKDM4E
SCHEMBL14511548 0.80 MAPT (0.79) ARUSP7MAPTKDM4EMEN1
SCHEMBL12723007 0.80 MAPT (0.79) ARUSP7MAPTKDM4EMEN1
SCHEMBL14582287 0.79 KMT2A (0.80) ARUSP7MAPTKDM4EMEN1
SCHEMBL13601355 0.78 AR (0.79) ARUSP7MAPTKDM4EMEN1
SCHEMBL23949811 0.78 MAPT (0.81) ARUSP7MAPTKDM4EMEN1
SCHEMBL10101290 0.78 MAPT (0.79) ARUSP7KIF11MAPTKDM4E
SCHEMBL681674 0.78 MAPT (0.81) ARUSP7MAPTKDM4EMEN1
SCHEMBL10101375 0.78 MAPT (0.79) ARUSP7KIF11MAPTKDM4E

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 AR 2448/4885USP7 1663/4885KIF11 1758/4885

“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.