SCHEMBL17868818

SCHEMBL17868818

Cc1ccccc1C(=O)c1c(C(N)=O)cccc1C1CCNC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.46
HTR2C P28335 4/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
CSF1R P07333 1/20 0.39
BTK Q06187 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL17868817 0.85 HTR2C (0.47) PARP1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL17868822 0.83 PARP1 (0.48) PARP1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL15380382 0.83 SLC6A2 (0.47) PARP1HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL22611546 0.81 PARP1 (0.48) PARP1SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL22611821 0.81 PARP1 (0.48) PARP1SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL22611747 0.81 PARP1 (0.48) PARP1SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL5330092 0.80 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL5968190 0.80 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL14869717 0.80 PARP1 (0.54) PARP1SLC6A2SLC6A4SLC6A3IKBKB
SCHEMBL15378065 0.80 PARP1 (0.42) PARP1HTR2CIKBKBCHUKCSF1R

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 1174/4885HTR2C 4198/4885SLC6A2 920/4885
US-20170135994-A9 NAMPT INHIBITORS NAMPT, NNMT, NAPRT PARP1 1174/4885HTR2C 4198/4885SLC6A2 920/4885

“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.