SCHEMBL12420679

SCHEMBL12420679

O=C(c1ccc(OCCC2CCCCC2)cc1)C1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.52
MAOB P27338 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
CHEK2 O96017 1/20 0.50
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH2 P25021 2/20 0.47
HRH1 P35367 2/20 0.47
HPGD P15428 3/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46

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
SCHEMBL13540174 0.87 PARP10 (0.62) MAOBHRH3CHEK2MEN1CYP2D6
SCHEMBL12735909 0.80 HPGD (0.54) NFE2L2HRH3CHEK2MEN1CYP2D6
SCHEMBL7316232 0.79 NFE2L2 (0.62) NFE2L2MEN1KMT2AHPGDPARP15
SCHEMBL12735793 0.79 CHEK2 (0.65) HRH3CHEK2ITGB3ITGA2BPARP15
SCHEMBL8117489 0.78 KMT2A (0.60) MEN1CYP2D6KMT2AHRH2HRH1
SCHEMBL11893183 0.78 NFE2L2 (0.60) NFE2L2MEN1KMT2AHRH2HRH1
SCHEMBL7321013 0.78 NFE2L2 (0.60) NFE2L2HRH3MEN1KMT2AHPGD
SCHEMBL12420657 0.78 TP53 (0.57) MEN1CYP2D6KMT2AHRH2HRH1
Hydrochloric Acid SCHEMBL31753574 0.77 CHEK2 (0.64) HRH3CHEK2ITGB3ITGA2BPARP15
SCHEMBL12420862 0.77 NFE2L2 (0.63) NFE2L2HRH3CHEK2ITGB3ITGA2B

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 NFE2L2 1770/4885MAOB 222/4885HRH3 94/4885

“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.