SCHEMBL17857553

SCHEMBL17857553

CCCCC1C(=O)NC(=O)N(C(C)C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
CYP3A4 P08684 2/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGS1 P23219 1/20 0.33
RAB9A P51151 1/20 0.33
NAPRT Q6XQN6 1/20 0.33
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL17841294 0.85 KDM4E (0.34) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9007459 0.77 ALDH1A1 (0.55) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL9063018 0.73 ALDH1A1 (0.76) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL4940697 0.71
SCHEMBL24469561 0.70 CYP19A1 (0.30)
SCHEMBL472502 0.70 ALDH1A1 (0.70) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11103713 0.70 ALDH1A1 (0.46) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL11607643 0.70 GAA (0.34) ALDH1A1MAPTHPGDMEN1KMT2A
Bucolome SCHEMBL25956 0.69 ALDH1A1 (0.57) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL1263811 0.69 ALDH1A1 (0.68) ALDH1A1MAPTHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 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-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 ALDH1A1 2265/4885MAPT 2462/4885HPGD 125/4885

“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.