SCHEMBL12420768

SCHEMBL12420768

O=C(c1cccc(OCCC2CCCCC2)c1)N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MGLL Q99685 1/20 0.47
HCRTR1 O43613 2/20 0.46
HCRTR2 O43614 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
PARP1 P09874 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
Hydrochloric Acid SCHEMBL2196700 0.99 MEN1 (0.47) MEN1KMT2AMGLLHCRTR1HCRTR2
SCHEMBL12420769 0.89 MGLL (0.58) MEN1KMT2AMGLLSIGMAR1PARP1
SCHEMBL2197433 0.89 HCRTR1 (0.45) MEN1KMT2AMGLLHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL2196480 0.88 HCRTR1 (0.44) MEN1KMT2AMGLLHCRTR1HCRTR2
SCHEMBL25120379 0.87 NPC1 (0.54) MEN1KMT2AMGLLHCRTR1HCRTR2
SCHEMBL30318932 0.87 F10 (0.48) MEN1KMT2AMGLLHCRTR1HCRTR2
SCHEMBL2194541 0.87 F10 (0.48) MEN1KMT2AMGLLHCRTR1HCRTR2
SCHEMBL12735909 0.86 HPGD (0.54) MEN1KMT2ASIGMAR1HRH3ALDH1A1
SCHEMBL13806531 0.85 NFE2L2 (0.41) HCRTR1HCRTR2HRH3ALDH1A1
SCHEMBL25120365 0.84 MGLL (0.49) MEN1KMT2AMGLLHCRTR1HCRTR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023049808-A2 SMALL MOLECULE INHIBITORS OF TEAD-YAP THE GENERAL HOSPITAL CORPORATION (US) 2023-03-30 WO disclosed
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 MEN1 4707/4885KMT2A 1156/4885MGLL 263/4885

“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.