SCHEMBL17868823

SCHEMBL17868823

COc1ccc(C(N)=O)c(C2CCNC2)c1C(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4B Q07343 1/20 0.40
PARP1 P09874 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTR2C P28335 2/20 0.39

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
SCHEMBL17868824 0.86 PARP1 (0.42) PARP1
SCHEMBL15378068 0.86 PARP1 (0.38) PARP1
SCHEMBL15380387 0.80 SLC6A2 (0.42) PARP1HTR2C
SCHEMBL17868821 0.80 CDK1 (0.46) PDE4BPARP1HTR2C
SCHEMBL17868817 0.73 HTR2C (0.47) PARP1HTR2C
SCHEMBL15537427 0.73 HTR2C (0.43) PARP1HTR2C
SCHEMBL31191740 0.72 PDE4B (0.61) PDE4BPARP1
SCHEMBL28482230 0.72 PARP1 (0.48) MAPTPARP1
SCHEMBL17868822 0.71 PARP1 (0.48) PARP1ALDH1A1HTR2C
SCHEMBL5330092 0.70 PARP1 (0.54) PARP1

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-20170135994-A9 NAMPT INHIBITORS ABBVIE INC. (US) 2017-05-18 US disclosed
US-20160184282-A1 NAMPT INHIBITORS ABBVIE INC. (US) 2016-06-30 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 (2 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-20160184282-A1 NAMPT INHIBITORS NAMPT, NNMT, NAPRT MAPT 582/4885KDM4E 3407/4885ALOX15 1919/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT MAPT 582/4885KDM4E 3407/4885ALOX15 1919/4885

“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.