SCHEMBL12420802

SCHEMBL12420802

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.59
ALDH1A1 P00352 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NR4A2 P43354 1/20 0.48
MAOB P27338 1/20 0.47
NTRK1 P04629 1/20 0.47
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 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
SCHEMBL12420786 0.91 PARP1 (0.59) PARP1ALDH1A1NR4A2MAOB
SCHEMBL12420766 0.89 NR4A2 (0.62) PARP1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL12420780 0.87 PARP1 (0.59) PARP1ALDH1A1MAOB
SCHEMBL12420779 0.87 PARP1 (0.59) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL12509138 0.87 PARP1 (0.59) PARP1ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL12420602 0.83 PARP1 (0.57) PARP1ALDH1A1SMN1; SMN2KMT2AMEN1
Hydrochloric Acid SCHEMBL2195811 0.82 PARP1 (0.56) PARP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL12509063 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL2336862 0.79 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11085975 0.79 ALDH1A1 (0.74) PARP1ALDH1A1SMN1; SMN2KMT2AMEN1

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 3006/4885ALDH1A1 259/4885SMN1; SMN2 2305/4885

“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.