SCHEMBL5186451

SCHEMBL5186451

CC(C)(C)OC(=O)C1C(=O)c2ncn(CCSc3ccccc3)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX3 P56373 4/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ABCB1 P08183 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 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
SCHEMBL5187137 0.82 NPC1 (0.34) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL5187339 0.81 P2RX3 (0.42) ALDH1A1P2RX3NPC1RAB9ACYP1A2
SCHEMBL5251684 0.80 NPC1 (0.38) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5185597 0.72 P2RX3 (0.41) MEN1KMT2AP2RX3GAATHRB
SCHEMBL5185603 0.72 P2RX3 (0.41) MEN1KMT2AP2RX3GAATHRB
SCHEMBL5251685 0.69 CYP1A2 (0.40) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5186460 0.68 P2RX3 (0.38) MEN1KMT2ALMNAP2RX3GAA
SCHEMBL5187215 0.65 CKS1B (0.37) ALDH1A1P2RX3NPC1RAB9AGAA
SCHEMBL29481662 0.65 MAPK1 (0.41) MEN1KMT2ATHRBSMN1; SMN2KDM4E
SCHEMBL4146994 0.64 NPC1 (0.36) ALDH1A1P2RX3NPC1RAB9AGAA

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-7288549-B2 Heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents AVENTIS PHARMA S.A. (FR) 2007-10-30 US disclosed
US-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents ENTASIS THERAPEUTICS LIMITED (GB) 2005-11-03 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-20050245505-A1 Novel heterocyclic compounds, method for preparing same and use thereof as medicines, in particular as antibacterial agents FDPS, MRPL21, DHPS ALDH1A1 1565/4885MEN1 154/4885KMT2A 3643/4885

“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.