SCHEMBL12420767

SCHEMBL12420767

O=C(c1ccccc1OCc1cccc(F)c1)N1CCNCC1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.67
LMNA P02545 2/20 0.63
HTR6 P50406 2/20 0.56
SGMS2 Q8NHU3 1/20 0.49
TACR3 P29371 1/20 0.48
LDHA P00338 1/20 0.48
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 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
SCHEMBL11088706 0.87 PARP1 (0.66) PARP1LMNAHTR6SGMS2RXFP1
SCHEMBL12420601 0.81 NR4A2 (0.62) PARP1LMNAALDH1A1NPC1RAB9A
SCHEMBL12420766 0.80 NR4A2 (0.62) PARP1LMNAALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL2195211 0.80 NR4A2 (0.60) PARP1LMNAALDH1A1NPC1RAB9A
SCHEMBL2453382 0.78 LMNA (0.62) LMNASGMS2MAPTHPGDALDH1A1
SCHEMBL5506154 0.78 PARP1 (1.00) PARP1LMNA
SCHEMBL12420848 0.77 NR4A2 (0.47) PARP1HTR6
SCHEMBL12508515 0.77 SGMS2 (0.72) LMNASGMS2
SCHEMBL12420762 0.76 NR4A2 (0.55)
SCHEMBL1578425 0.75 KMT2A (0.68) LMNAMAPTHPGDALDH1A1NPC1

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 3006/4885LMNA 4308/4885HTR6 3435/4885

“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.