SCHEMBL17868822

SCHEMBL17868822

Cc1ccccc1C(=O)c1cccc(C(N)=O)c1C1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.48
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTR2C P28335 2/20 0.39
PARP2 Q9UGN5 5/20 0.38
RPS6KB1 P23443 1/20 0.38
TNKS O95271 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
DYRK1A Q13627 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP12 Q9H0J9 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP4 Q9UKK3 1/20 0.38

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
SCHEMBL17868821 0.84 CDK1 (0.46) PARP1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL17868818 0.83 PARP1 (0.46) PARP1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL15380385 0.82 SLC6A2 (0.49) PARP1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3809365 0.80 PARP1 (0.51) PARP1HTR2CPARP2RPS6KB1
SCHEMBL22611748 0.80 PARP1 (0.50) PARP1SLC6A2SLC6A4SLC6A3PARP2
SCHEMBL22611547 0.80 PARP1 (0.50) PARP1SLC6A2SLC6A4SLC6A3PARP2
SCHEMBL22611822 0.80 PARP1 (0.50) PARP1SLC6A2SLC6A4SLC6A3PARP2
SCHEMBL15378067 0.79 PARP1 (0.43) PARP1HTR2C
SCHEMBL17868824 0.79 PARP1 (0.42) PARP1
SCHEMBL28325510 0.78 PARP1 (0.57) PARP1PARP2RPS6KB1

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 PARP1 1174/4885SLC6A2 920/4885SLC6A4 1993/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT PARP1 1174/4885SLC6A2 920/4885SLC6A4 1993/4885

“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.