SCHEMBL12420766

SCHEMBL12420766

O=C(c1cccc(OCc2cccc(F)c2)c1)N1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.62
MAOB P27338 2/20 0.61
ALDH1A1 P00352 6/20 0.58
PARP1 P09874 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
HPD P32754 1/20 0.53
GRM5 P41594 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PARP10 Q53GL7 1/20 0.50

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
SCHEMBL12420601 0.90 NR4A2 (0.62) NR4A2MAOBALDH1A1PARP1SMN1; SMN2
SCHEMBL12420802 0.89 PARP1 (0.59) NR4A2MAOBALDH1A1PARP1SMN1; SMN2
Hydrochloric Acid SCHEMBL2195211 0.89 NR4A2 (0.60) NR4A2MAOBALDH1A1PARP1SMN1; SMN2
SCHEMBL11085975 0.88 ALDH1A1 (0.74) NR4A2MAOBALDH1A1PARP1SMN1; SMN2
SCHEMBL12420848 0.84 NR4A2 (0.47) NR4A2MAOBPARP1GRM5PARP10
SCHEMBL12420786 0.82 PARP1 (0.59) NR4A2MAOBALDH1A1PARP1
SCHEMBL2336862 0.81 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL12420762 0.81 NR4A2 (0.55) NR4A2MAOBPARP10
SCHEMBL4413778 0.80 MEN1 (0.67) NR4A2MAOBALDH1A1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL222679 0.80 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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 NR4A2 3133/4885MAOB 222/4885ALDH1A1 259/4885

“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.