SCHEMBL12508495

SCHEMBL12508495

O=C(NCCc1ccccc1)C1CCN(C(=O)Nc2cccnc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.57
▸ PSMB5 P28074 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ BCL6 P41182 1/20 0.54
▸ CYP2C19 P33261 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ NAMPT P43490 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL12508799 0.94 ALDH1A1 (0.56) ALDH1A1KDM4EPSMB5TDP1NPSR1
SCHEMBL12508795 0.89 TDP1 (0.68) ALDH1A1PSMB5TDP1KMT2ACYP2C19
SCHEMBL12508801 0.83 FAAH (0.59) ALDH1A1KDM4ETSHRGAA
SCHEMBL14413602 0.82 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2ACYP2C19NPSR1
SCHEMBL25120469 0.80 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1KMT2ACYP2C19
SCHEMBL13873127 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EKMT2ACYP2C19NPSR1
SCHEMBL12508788 0.78 NAMPT (0.58) NAMPT
SCHEMBL12508798 0.78 SMN1; SMN2 (0.55) ALDH1A1KDM4EPSMB5KMT2ANAMPT
SCHEMBL5267382 0.78 KMT2A (0.70) ALDH1A1KDM4EKMT2ACYP2C19NPSR1
SCHEMBL12509185 0.78 FAAH (0.54) ALDH1A1TDP1CYP2C19

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 259/4885KDM4E 1146/4885PSMB5 317/4885

“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.

Send feedback