SCHEMBL1680997

SCHEMBL1680997

Cc1ccc(OC(C)c2ccc(CN)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.34
LOX P28300 1/20 0.34
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
FFAR1 O14842 2/20 0.32
CSNK2A1 P68400 2/20 0.32
AKT2 P31751 1/20 0.32
ACACB O00763 2/20 0.32
ACACA Q13085 2/20 0.32
CD274 Q9NZQ7 1/20 0.32
CCR5 P51681 2/20 0.32
CCR1 P32246 1/20 0.32
CCR8 P51685 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN9A Q15858 1/20 0.31
CNR1 P21554 2/20 0.31

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
SCHEMBL19002333 0.80 NUDT1 (0.42) KDM4EALDH1A1HSD17B10NOS3NOS2
SCHEMBL2243975 0.76 MAOB (0.45) KDM4EALDH1A1HSD17B10LOXL2LOX
SCHEMBL1680999 0.74 ELOVL1 (0.43) KDM4EALDH1A1HSD17B10LOXL2LOX
SCHEMBL3939368 0.73 ALDH1A1 (0.45) ALDH1A1CSNK2A1ACACBACACASCN5A
SCHEMBL6938238 0.71 ALDH1A1 (0.50) KDM4EALDH1A1HSD17B10NOS3NOS2
SCHEMBL12204917 0.71 CCR1 (0.40) KDM4EALDH1A1HSD17B10NOS3NOS2
SCHEMBL19122859 0.70 CCR1 (0.43) KDM4EALDH1A1HSD17B10NOS3NOS2
SCHEMBL19122787 0.70 CCR1 (0.43) KDM4EALDH1A1HSD17B10NOS3NOS2
SCHEMBL26581170 0.70 IDO1 (0.46) LOXL2FFAR1ACACBACACA
SCHEMBL17696422 0.69 GABRP (0.46) KDM4EALDH1A1HSD17B10NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932272-B2 Antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-04-26 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 KDM4E 3245/4885ALDH1A1 1459/4885HSD17B10 3346/4885

“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.