SCHEMBL3810321

SCHEMBL3810321

CCN(CC)CCNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.76
▸ MT-CO2 P00403 1/20 0.62
▸ METTL3 Q86U44 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ AKR1B10 O60218 1/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ TTR P02766 1/20 0.60
▸ ADORA3 P0DMS8 1/20 0.60
▸ CHRM1 P11229 1/20 0.60
▸ FABP2 P12104 1/20 0.60
▸ RXRA P19793 1/20 0.60
▸ TBXA2R P21731 1/20 0.60
▸ NR4A1 P22736 1/20 0.60
▸ PTGS1 P23219 1/20 0.60
▸ PDE4A P27815 1/20 0.60
▸ AKR1C3 P42330 1/20 0.60
▸ NR4A2 P43354 1/20 0.60
▸ AKR1C2 P52895 1/20 0.60

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
Acetic Acid SCHEMBL28343515 0.97 PTGS2 (0.72) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL4434232 0.82 METTL3 (0.76) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL29481381 0.82 METTL3 (0.76) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL12608889 0.81 PTGS2 (0.74) PTGS2MT-CO2METTL3MEN1MAPK1
Hydrochloric Acid SCHEMBL2582024 0.81 METTL3 (0.74) PTGS2MT-CO2METTL3MEN1MAPK1
SCHEMBL9268418 0.80 PTGS2 (0.77) PTGS2MT-CO2METTL3MEN1MAPK1
Acetic Acid SCHEMBL16049910 0.79 METTL3 (0.71) PTGS2METTL3MEN1MAPK1KMT2A
SCHEMBL9734401 0.79 PTGS2 (0.75) PTGS2MT-CO2METTL3MEN1MAPK1
Meclofenamic Acid SCHEMBL28346421 0.79 PTGS2 (0.67) PTGS2METTL3MEN1MAPK1KMT2A
SCHEMBL3805715 0.78 MT-CO2 (0.59) PTGS2MT-CO2MEN1KMT2AAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 — — US claimed

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-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885MT-CO2 4662/4885METTL3 2910/4885

“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.

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