SCHEMBL683708

SCHEMBL683708

Nc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
RXFP1 Q9HBX9 2/20 0.70
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
MAPT P10636 2/20 0.62
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
HSD17B10 Q99714 1/20 0.60
HDAC1 Q13547 2/20 0.57
POLB P06746 2/20 0.56
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2D6 P10635 1/20 0.55
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL4905569 0.90 MAPT (0.76) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL10893718 0.89 HDAC1 (0.72) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL30492552 0.88 MAPT (0.78) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL866785 0.88 MAPT (0.78) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL11212466 0.86 NPC1 (0.61) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL8804658 0.85 KDM4E (0.82) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL31471694 0.83 POLB (0.61) KDM4ENPSR1MEN1KMT2AMAPT
SCHEMBL11305759 0.83 POLB (0.61) KDM4ENPSR1MEN1KMT2AMAPT
SCHEMBL7297665 0.83 SERPINE1 (0.72) KDM4ENPSR1RXFP1MEN1KMT2A
SCHEMBL11314665 0.82 NPC1 (0.57) KDM4ENPSR1RXFP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
US-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS MERCK PATENT GMBH (DE) 2011-11-03 US disclosed
WO-2010002779-A2 NAPHTHYRIDININONES AS AURORA KINASE INHIBITORS MERCK SERONO S.A. (CH) 2010-01-07 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-20110269758-A1 NAPHTHYRIDINONES AS PROTEIN KINASE INHIBITORS AURKA, AURKC, AURKB KDM4E 1019/4885NPSR1 3953/4885RXFP1 4581/4885

“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.