SCHEMBL3277764

SCHEMBL3277764

NC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 13/20 0.74
P2RX4 Q99571 4/20 0.74
P2RX7 Q99572 4/20 0.74
TMPRSS4 Q9NRS4 4/20 0.68
SLC2A1 P11166 1/20 0.63
KCNMA1 Q12791 3/20 0.59
FADS1 O60427 3/20 0.58

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
SCHEMBL330581 0.88 P2RX1 (0.76) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL11932152 0.86 P2RX1 (1.00) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL13812564 0.85 TMPRSS4 (0.74) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL18341409 0.85 P2RX1 (0.77) P2RX1P2RX4P2RX7TMPRSS4KCNMA1
SCHEMBL13812565 0.83 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL30771751 0.83 P2RX1 (0.69) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL26980263 0.83 P2RX1 (0.69) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL538439 0.81 TMPRSS4 (1.00) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL3860231 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1
SCHEMBL11932156 0.81 P2RX1 (0.78) P2RX1P2RX4P2RX7TMPRSS4SLC2A1

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-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-11 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 (5 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-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 P2RX1 2484/4885P2RX4 3324/4885P2RX7 2360/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT P2RX1 2927/4885P2RX4 3704/4885P2RX7 2720/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 P2RX1 3156/4885P2RX4 4233/4885P2RX7 3197/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR P2RX1 2425/4885P2RX4 3298/4885P2RX7 2267/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR P2RX1 2389/4885P2RX4 3242/4885P2RX7 2289/4885

“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.