SCHEMBL798982

SCHEMBL798982

CC(C)c1ccccc1C(=O)NC1CCCOC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
HPGD P15428 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
CNR2 P34972 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
POLB P06746 1/20 0.44
CXCR2 P25025 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL27171970 0.92 CNR2 (0.49) NAMPTNPC1RAB9AHPGDGAA
SCHEMBL27204928 0.92 CNR2 (0.49) NAMPTNPC1RAB9AHPGDGAA
SCHEMBL15614408 0.82 NPC1 (0.55) NPC1RAB9AHPGDGAAMAPT
SCHEMBL13162643 0.76 NPC1 (0.64) NAMPTNPC1RAB9AGAAALDH1A1
SCHEMBL13634628 0.76 NPC1 (0.64) NAMPTNPC1RAB9AGAAALDH1A1
SCHEMBL28949389 0.73 CRBN (0.48) NAMPTNPC1RAB9AHPGDGAA
SCHEMBL26856714 0.73 GRM4 (0.51) NAMPTNPC1RAB9AGAAALDH1A1
SCHEMBL26856711 0.73 GRM4 (0.51) NAMPTNPC1RAB9AGAAALDH1A1
SCHEMBL1911528 0.71 CXCR2 (0.44) NAMPTHPGDKDM4EHTTCNR2
SCHEMBL29062256 0.71 TAS1R3 (0.54) NAMPTNPC1RAB9AALDH1A1KDM4E

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 NAMPT 1839/4885NPC1 1283/4885RAB9A 1096/4885

“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.