SCHEMBL15326558

SCHEMBL15326558

CC(C)(C)OC(=O)NCCn1nnnc1NC(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP1A2 P05177 4/20 0.45
CYP2C19 P33261 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP2C9 P11712 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
STING1 Q86WV6 2/20 0.42
HPGD P15428 2/20 0.42
SUCNR1 Q9BXA5 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
GRM5 P41594 1/20 0.40

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
SCHEMBL16034867 0.85 ALDH1A1 (0.48) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15324846 0.81 ALDH1A1 (0.68) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL29848625 0.81 ALDH1A1 (0.68) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15326561 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15324772 0.79 ALDH1A1 (0.53) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15326527 0.79 KDM4E (0.44) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15326530 0.76 ALDH1A1 (0.44) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL15323661 0.76 LMNA (0.48) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL16087862 0.75 LMNA (0.43) NPC1RAB9AALDH1A1KDM4ELMNA
SCHEMBL16087861 0.74 KDM4E (0.50) NPC1RAB9AALDH1A1KDM4ELMNA

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-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-8975288-B2 F2 derivatives as antibacterial agents THE PENN STATE RESEARCH FOUNDATION (US) 2015-03-10 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
US-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION 2014-09-18 US disclosed
WO-2013154793-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS THE PENN STATE RESEARCH FOUNDATION (US) 2013-10-17 WO 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-20140275192-A1 F2 DERIVATIVES AS ANTIBACTERIAL AGENTS NR2C2, H1-10, NR2F2 NPC1 554/4885RAB9A 1056/4885ALDH1A1 3673/4885

“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.