SCHEMBL6519308

SCHEMBL6519308

COc1ccc(CN2CCc3c4c(cccc4nn3-c3ccc(CNC(=O)O)cc3)C2=O)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.48
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL6521863 0.84 EGLN1 (0.43) EGLN1KMT2AMEN1MAPK1NPSR1
SCHEMBL6517204 0.83 EGLN1 (0.43) EGLN1KMT2AMEN1TSHRMAPK1
SCHEMBL6522824 0.75 EGLN1 (0.42) EGLN1TSHRHTTNPSR1LMNA
SCHEMBL6522834 0.74 EGLN1 (0.42) EGLN1TSHRLMNAHDAC3HDAC4
SCHEMBL6522412 0.73 KMT2A (0.42) EGLN1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL6526902 0.67 EGLN1 (0.42) EGLN1KMT2AMEN1TSHRMAPK1
SCHEMBL2261220 0.66 APLNR (0.65) KMT2AMEN1TSHRHTTNPSR1
SCHEMBL24852341 0.66 EGLN1 (0.44) EGLN1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL29738537 0.66 EGLN1 (0.44) EGLN1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL24852907 0.66 EGLN1 (0.44) EGLN1KMT2ASMN1; SMN2MEN1TSHR

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-8362030-B2 Tricyclic derivatives as inhibitors of poly(ADP-ribose) polymerase (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-01-29 US disclosed
US-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2011-03-03 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-20110053911-A1 TRICYCLIC DERIVATIVES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) PARP1, PARP2, PARP11 EGLN1 3349/4885KMT2A 3426/4885SMN1; SMN2 1678/4885

“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.