SCHEMBL12420779

SCHEMBL12420779

O=C(c1cccc(OCCc2cccc(Cl)c2)c1)N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.54
F10 P00742 1/20 0.53
MGLL Q99685 1/20 0.49
NR4A2 P43354 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.45
HTR1A P08908 1/20 0.45

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
SCHEMBL12420780 0.87 PARP1 (0.59) PARP1ALDH1A1MAOBPOLBSIRT2
SCHEMBL12420802 0.87 PARP1 (0.59) PARP1ALDH1A1KDM4ENR4A2MAOB
SCHEMBL12509138 0.87 PARP1 (0.59) PARP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12420786 0.84 PARP1 (0.59) PARP1ALDH1A1NR4A2MAOBPOLB
SCHEMBL12420602 0.83 PARP1 (0.57) PARP1ALDH1A1MGLLMEN1KMT2A
SCHEMBL4677057 0.83 KDM4E (0.52) PARP1ALDH1A1KDM4ENR4A2MAOA
Hydrochloric Acid SCHEMBL2195811 0.82 PARP1 (0.56) PARP1ALDH1A1MGLLMEN1KMT2A
SCHEMBL12509249 0.81 F10 (0.54) ALDH1A1KDM4EF10MGLLMEN1
SCHEMBL2733887 0.79 SIGMAR1 (0.65) ALDH1A1MGLL
SCHEMBL11085975 0.79 ALDH1A1 (0.74) PARP1ALDH1A1MGLLNR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
EP-2065369-A1 UREA COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2009-06-03 EP 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R PARP1 3006/4885ALDH1A1 259/4885KDM4E 1146/4885

“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.