SCHEMBL12420786

SCHEMBL12420786

O=C(c1cccc(OCCc2ccc(F)cc2)c1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
GAA P10253 1/20 0.51
POLB P06746 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD11B1 P28845 1/20 0.48
NR4A2 P43354 1/20 0.48
MAOB P27338 1/20 0.47

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
SCHEMBL12420802 0.91 PARP1 (0.59) PARP1ALDH1A1NR4A2MAOB
SCHEMBL12420602 0.85 PARP1 (0.57) PARP1POLBALDH1A1
SCHEMBL12509138 0.84 PARP1 (0.59) PARP1ALDH1A1HSD11B1
SCHEMBL12420780 0.84 PARP1 (0.59) PARP1POLBALDH1A1MAOB
SCHEMBL12420779 0.84 PARP1 (0.59) PARP1POLBALDH1A1NR4A2MAOB
Hydrochloric Acid SCHEMBL2195811 0.84 PARP1 (0.56) PARP1POLBALDH1A1
SCHEMBL12420766 0.82 NR4A2 (0.62) PARP1ALDH1A1NR4A2MAOB
SCHEMBL11085975 0.79 ALDH1A1 (0.74) PARP1ALDH1A1NR4A2MAOB
SCHEMBL11084473 0.77 SLC6A7 (0.67) PARP1ALDH1A1
SCHEMBL12509064 0.77 POLB (0.51) GAAPOLBALDH1A1HSD11B1

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-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

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 3006/4885GAA 1253/4885POLB 2205/4885

“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.