SCHEMBL4367228

SCHEMBL4367228

CC(C)[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OCCCCN(C)C)cc21

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 2/20 0.78
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
CFD P00746 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EGFR P00533 3/20 0.32
HRH1 P35367 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
METTL14 Q9HCE5 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
CHEK1 O14757 2/20 0.31
CDK1 P06493 2/20 0.31
WEE1 P30291 2/20 0.31

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
SCHEMBL4363027 0.98 METTL3 (0.79) METTL3KDM4EALDH1A1LMNATDP1
SCHEMBL4367274 0.95 METTL3 (0.80) METTL3KDM4EALDH1A1CFDEGFR
SCHEMBL4363570 0.93 METTL3 (0.81) METTL3CFDLTB4RLTB4R2METTL14
SCHEMBL4359720 0.93 METTL3 (0.82) METTL3CFDLTB4RLTB4R2METTL14
SCHEMBL4366642 0.93 METTL3 (0.82) METTL3CFDLTB4RLTB4R2METTL14
SCHEMBL13861887 0.92 METTL3 (0.79) METTL3KDM4ECFDLTB4RLTB4R2
SCHEMBL4364905 0.92 METTL3 (0.84) METTL3CFDLTB4RLTB4R2METTL14
SCHEMBL4372591 0.92 METTL3 (0.84) METTL3CFDLTB4RLTB4R2METTL14
Hydrochloric Acid SCHEMBL4363550 0.91 METTL3 (0.78) METTL3KDM4ECFDLTB4RLTB4R2
SCHEMBL13861884 0.91 METTL3 (0.80) METTL3KDM4ECFDLTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 US claimed
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 US claimed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 US disclosed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 US disclosed
US-7531554-B2 Useful as an anti-HIV agent that particularly shows an anti-HIV action based on an integrase inhibitory activity; for treatment or prophylaxis of AIDS; for example, 6-(2,3-dichlorobenzyl)-1-(2-hydroxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid JAPAN TOBACCO INC. (JP) 2009-05-12 US disclosed
US-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor JAPAN TOBACCO INC. (JP) 2006-01-26 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-20060019906-A1 Novel 4-oxoquinoline compound and use thereof as HIV integrase inhibitor IMPDH1, PIP4K2B, IMPDH2 METTL3 1260/4885KDM4E 188/4885ALDH1A1 1425/4885

“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.