SCHEMBL13679149

SCHEMBL13679149

NCCCCNC(=O)c1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.58
▸ HDAC3 O15379 2/20 0.53
▸ HDAC1 Q13547 2/20 0.53
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MT-CO2 P00403 5/20 0.46
▸ CXCL8 P10145 2/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ UGT1A9 O60656 1/20 0.46
▸ TRPA1 O75762 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ UGT1A6 P19224 1/20 0.46
▸ UGT1A1 P22309 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ CXCR1 P25024 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ AGTR2 P50052 1/20 0.46
▸ NR1I3 Q14994 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
SCHEMBL13143940 0.82 PTGS2 (0.53) PTGS2POLBHPGDMT-CO2CXCL8
SCHEMBL10797057 0.80 CA12 (0.65) PTGS2MT-CO2CXCL8AKR1B10UGT1A9
Hydrochloric Acid SCHEMBL10797659 0.79 CA12 (0.64) PTGS2MT-CO2CXCL8AKR1B10UGT1A9
SCHEMBL30843288 0.79 HTT (0.65) HDAC3HDAC1POLBHPGD
SCHEMBL9735209 0.76 FTO (0.56) PTGS2HDAC3HDAC1HPGDMT-CO2
SCHEMBL9492505 0.74 HPGD (0.78) HDAC3HDAC1POLBHPGD
SCHEMBL9492258 0.74 HPGD (0.78) HDAC3HDAC1POLBHPGD
SCHEMBL22481354 0.74 PTGS2 (0.52) PTGS2CXCL8
SCHEMBL13929951 0.73 RXFP1 (0.64) HDAC3HDAC1
SCHEMBL8515238 0.73 ALDH1A1 (0.57) HDAC3HDAC1HPGD

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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 — — US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 — — US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 — — 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 (2 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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885HDAC3 1093/4885HDAC1 1392/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885HDAC3 1093/4885HDAC1 1392/4885

“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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