SCHEMBL10201433

SCHEMBL10201433

O=C1NCCCc2cc(I)c(O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
GSK3B P49841 1/20 0.38
PARP10 Q53GL7 9/20 0.38
PARP1 P09874 7/20 0.38
PARP11 Q9NR21 5/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
ACHE P22303 1/20 0.38
PRKD1 Q15139 2/20 0.38
CDC7 O00311 1/20 0.35
PDPK1 O15530 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
PRKD2 Q9BZL6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL10201428 0.90 KDM4E (0.50) KDM4EPARP10PARP1PARP11F7
SCHEMBL4788975 0.76 MAPT (0.44) KDM4EALDH1A1LMNATP53HTT
SCHEMBL24136646 0.75 KDM4E (0.56) KDM4EPARP10PARP1PARP11F7
SCHEMBL29600821 0.75 KDM4E (0.56) KDM4EPARP10PARP1PARP11F7
SCHEMBL10201434 0.73 PARP1 (0.56) PARP10PARP1PARP11F7F3
SCHEMBL2995459 0.73 PARP10 (0.51) GSK3BPARP10PARP1PARP11F7
SCHEMBL5258588 0.73 MAOA (0.59) GSK3BPARP10PARP1PARP11F7
SCHEMBL2930139 0.72 PBRM1 (0.50) GRM5MAOAMAOBPRKCI
SCHEMBL31443844 0.70 PARP10 (0.56) KDM4EPARP10PARP1PARP11F7
SCHEMBL15830717 0.70 PARP10 (0.56) KDM4EPARP10PARP1PARP11F7

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 KDM4E 4592/4885GSK3B 520/4885PARP10 2737/4885

“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.