SCHEMBL15326531

SCHEMBL15326531

CCCn1nnnc1NC(=O)c1cccc(Cl)c1N

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL153191 0.79 ALDH1A1 (0.83) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL12492183 0.79 ALDH1A1 (1.00) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL29848625 0.77 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15324846 0.77 ALDH1A1 (0.68) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15323648 0.75 KDM4E (0.73) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL31001629 0.75 CYP2C19 (0.73) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15210657 0.74 CYP1A2 (0.72) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL18932461 0.74 CYP1A2 (0.66) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL15326621 0.73 KDM4E (0.69) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11442601 0.70 KDM4E (0.51) ALDH1A1HPGDCYP1A2CYP2C9CYP2C19

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-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
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 ALDH1A1 3673/4885HPGD 3401/4885CYP1A2 492/4885

“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.