SCHEMBL7947246

SCHEMBL7947246

O=C(NCCN1CCOCC1)c1cc2ccccc2c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.74
ALDH1A1 P00352 3/20 0.74
HSD17B10 Q99714 3/20 0.74
PARP1 P09874 5/20 0.63
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 2/20 0.56
HPGDS O60760 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.53
MEN1 O00255 1/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
CD274 Q9NZQ7 1/20 0.53

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
SCHEMBL28624628 0.85 KDM4E (1.00) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL7894771 0.82 KDM4E (0.74) KDM4EALDH1A1HSD17B10PARP1CYP1A2
SCHEMBL25040938 0.79 KDM4E (0.69) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL30175940 0.79 KDM4E (0.87) KDM4EALDH1A1HSD17B10CYP1A2CYP2C19
SCHEMBL14006089 0.78 KDM4E (0.85) KDM4EALDH1A1HSD17B10MAPT
SCHEMBL7947081 0.78 PARP1 (0.63) KDM4EALDH1A1HSD17B10PARP1CYP1A2
SCHEMBL6686759 0.78 PARP1 (1.00) KDM4EALDH1A1HSD17B10PARP1CYP1A2
SCHEMBL5795351 0.76 KMT2A (0.63) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL31518356 0.76 KMT2A (0.63) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6
SCHEMBL10819820 0.76 KMT2A (0.62) KDM4EALDH1A1HSD17B10CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 WO 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 KDM4E 2812/4885ALDH1A1 2480/4885HSD17B10 1666/4885

“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.