SCHEMBL12508799

SCHEMBL12508799

O=C(NCCCc1ccccc1)C1CCN(C(=O)Nc2cccnc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.56
▸ PSMB5 P28074 2/20 0.55
▸ FKBP1A P62942 1/20 0.54
▸ NAMPT P43490 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ MAPT P10636 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ EPHX2 P34913 1/20 0.49
▸ PSMB11 A5LHX3 1/20 0.49
▸ PSMA7 O14818 1/20 0.49
▸ PSMB1 P20618 1/20 0.49
▸ PSMA1 P25786 1/20 0.49
▸ PSMA2 P25787 1/20 0.49
▸ PSMA3 P25788 1/20 0.49
▸ PSMA4 P25789 1/20 0.49
▸ PSMB8 P28062 1/20 0.49

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
SCHEMBL12508495 0.94 ALDH1A1 (0.63) ALDH1A1PSMB5NAMPTTDP1NPSR1
SCHEMBL12508795 0.88 TDP1 (0.68) ALDH1A1PSMB5TDP1NPSR1TSHR
SCHEMBL12508801 0.81 FAAH (0.59) ALDH1A1TSHRKDM4EGAA
SCHEMBL12509071 0.79 FAAH (0.57) NAMPT
SCHEMBL12509252 0.78 FAAH (0.56) NAMPT
SCHEMBL12508798 0.77 SMN1; SMN2 (0.55) ALDH1A1PSMB5NAMPTKDM4EPSMB11
SCHEMBL12508788 0.77 NAMPT (0.58) NAMPTEPHX2
SCHEMBL12509185 0.76 FAAH (0.54) ALDH1A1FKBP1ATDP1
SCHEMBL12509069 0.76 FAAH (0.56) NAMPTMAPTNPSR1KDM4E
SCHEMBL14413602 0.76 ALDH1A1 (0.58) ALDH1A1NPSR1TSHRKDM4E

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 1 patent. 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

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 ALDH1A1 259/4885PSMB5 317/4885FKBP1A 3900/4885

“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.

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