SCHEMBL5347276

SCHEMBL5347276

COC(=O)CC(=O)Nc1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HPGD P15428 3/20 0.51
HTT P42858 2/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 3/20 0.50
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
APEX1 P27695 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 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
SCHEMBL11429211 0.84 TSHR (0.69) RAB9AMAPTMEN1KMT2AHPGD
SCHEMBL10016247 0.83 MEN1 (0.55) MAPTMEN1KMT2AHPGDHTT
SCHEMBL13841452 0.83 POLB (0.74) MEN1KMT2AHPGDHTTALDH1A1
SCHEMBL5348324 0.82 LOXL2 (0.51) MEN1KMT2AHPGDHTTALDH1A1
SCHEMBL15380241 0.82 KMT2A (0.59) RAB9AMAPTMEN1KMT2AHPGD
SCHEMBL31054382 0.82 HDAC8 (0.62) HPGDHTTALDH1A1L3MBTL1
SCHEMBL853933 0.81 HPGD (0.70) RAB9AMAPTKMT2AHPGDHTT
SCHEMBL5206026 0.81 HPGD (0.75) RAB9AMAPTMEN1KMT2AHPGD
SCHEMBL6663354 0.81 MEN1 (0.53) RAB9AMAPTMEN1KMT2AHPGD
SCHEMBL680052 0.81 ALDH1A1 (0.69) RAB9AMAPTMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 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-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI RAB9A 869/4885MAPT 3008/4885MEN1 4308/4885

“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.