SCHEMBL10201434

SCHEMBL10201434

O=C1NCCCc2ccc(O)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.56
PARP10 Q53GL7 7/20 0.56
PBRM1 Q86U86 1/20 0.53
F7 P08709 1/20 0.51
F3 P13726 1/20 0.51
PRKD1 Q15139 4/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
PRKD2 Q9BZL6 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PRKCI P41743 1/20 0.46
PARP11 Q9NR21 2/20 0.44
PDPK1 O15530 1/20 0.44
DRD2 P14416 2/20 0.42

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
SCHEMBL29438680 0.89 PARP10 (0.69) PARP1PARP10PBRM1F7F3
SCHEMBL246168 0.89 PARP10 (0.69) PARP1PARP10PBRM1F7F3
SCHEMBL5258588 0.86 MAOA (0.59) PARP1PARP10F7F3PRKD1
SCHEMBL29712442 0.83 PARP10 (0.81) PARP1PARP10F7F3L3MBTL1
SCHEMBL19838786 0.83 PARP10 (0.81) PARP1PARP10F7F3L3MBTL1
SCHEMBL15830755 0.79 PARP10 (0.81) PARP1PARP10F7F3ALDH1A1
SCHEMBL19838574 0.79 PARP10 (0.81) PARP1PARP10F7F3PARP11
SCHEMBL2062848 0.79 PARP10 (0.51) PARP1PARP10F7F3PARP11
SCHEMBL31743097 0.79 PARP10 (0.81) PARP1PARP10F7F3PARP11
SCHEMBL4499446 0.78 NTRK2 (0.56) PARP1PARP10PBRM1F7F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 PARP1 2121/4885PARP10 2737/4885PBRM1 4463/4885

“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.