SCHEMBL19728356

SCHEMBL19728356

CCCCCCCC(C)(CCCC)NC(=O)CCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HSP90AA1 P07900 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
FAAH O00519 2/20 0.41
PRSS1 P07477 1/20 0.40
CTSG P08311 1/20 0.40
CTRB1 P17538 1/20 0.40
CMA1 P23946 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CES2 O00748 4/20 0.39
MAPK1 P28482 1/20 0.39
CES1 P23141 3/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL19352943 0.98 CASP2 (0.50) CASP2ALDH1A1HSP90AA1HRH3FAAH
SCHEMBL23768207 0.85 CES2 (0.41) CASP2ALDH1A1HSP90AA1FAAHMEN1
SCHEMBL25548092 0.84 ALDH1A1 (0.46) CASP2ALDH1A1HSP90AA1HRH3FAAH
SCHEMBL23815753 0.83 DNM1 (0.49) ALDH1A1HSP90AA1HRH3FAAH
SCHEMBL25049611 0.83 DNM1 (0.49) ALDH1A1HSP90AA1HRH3FAAH
SCHEMBL23718014 0.83 DNM1 (0.49) ALDH1A1HSP90AA1HRH3FAAH
SCHEMBL19271954 0.81 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL19271828 0.81 MEN1 (0.53) MEN1KMT2AMAPTATML3MBTL1
SCHEMBL19728355 0.81 MEN1 (0.40) ALDH1A1HSP90AA1HRH3FAAHMEN1
SCHEMBL19352939 0.79 MAPT (0.41) ALDH1A1HSP90AA1FAAHMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives ESANEX INC (US) 2020-03-05 US disclosed
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-05-28 US disclosed
US-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-21 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-20170362219-A1 SUBSTITUTED DIHYDRO-1H-PYRROLO[3,2-C]PYRIDIN-4(5H)-ONES AS RIPK3 INHIBITORS RIPK3, RIPK1, RIPK4 CASP2 172/4885ALDH1A1 4289/4885HSP90AA1 2654/4885
US-10301306-B2 Substituted dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-ones as RIPK3 inhibitors RIPK3, RIPK1, RIPK4 CASP2 172/4885ALDH1A1 4289/4885HSP90AA1 2654/4885
US-20200071308-A1 Benzene, Pyridine, and Pyridazine Derivatives CDK4, P2RX4, MKI67 CASP2 569/4885ALDH1A1 1049/4885HSP90AA1 3912/4885

“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.