Sugi Predict

Sugi Predict / Compounds / SCHEMBL7573276

SCHEMBL7573276

SCHEMBL7573276

CCCN(CCC)C(=O)c1cccc(CCN2C(=N)NC(C)(c3cccc(Br)c3)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ TP53 P04637 4/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ KCNA5 P22460 1/20 0.33
▸ KCNJ5 P48544 1/20 0.33
▸ KCNJ3 P48549 1/20 0.33

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
SCHEMBL8210933 0.97 RXFP1 (0.41) RXFP1KMT2AMEN1TP53HTT
SCHEMBL2970444 0.91 RXFP1 (0.43) RXFP1KMT2AMEN1TP53HTT
SCHEMBL7542748 0.84 OPRM1 (0.40) KMT2AMEN1HTTOPRM1OPRD1
SCHEMBL14105000 0.81 HTT (0.39) RXFP1KMT2AMEN1TP53HTT
SCHEMBL8196032 0.80 PPARG (0.40) KMT2AMEN1HTTOPRM1OPRD1
SCHEMBL7559697 0.79 ALDH1A1 (0.40) RXFP1TP53HTTMAPTHDAC6
SCHEMBL13081338 0.79 BACE1 (0.38) RXFP1KMT2AMEN1TP53HTT
SCHEMBL27714681 0.78 KMT2A (0.52) RXFP1KMT2AMEN1TP53HTT
SCHEMBL7558730 0.77 BACE1 (0.39) RXFP1KMT2AMEN1HTT
SCHEMBL7562630 0.77 TLR8 (0.40) HTTKCNA5KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — 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 (3 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 RXFP1 442/4885KMT2A 4458/4885MEN1 1192/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D RXFP1 2180/4885KMT2A 3390/4885MEN1 364/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D RXFP1 2180/4885KMT2A 3390/4885MEN1 364/4885

“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.