SCHEMBL3284516

SCHEMBL3284516

O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 17/20 0.71
P2RX7 Q99572 6/20 0.71
P2RX4 Q99571 5/20 0.71
TMPRSS4 Q9NRS4 7/20 0.66
P2RX3 P56373 1/20 0.58
MEN1 O00255 1/20 0.55
IKBKB O14920 1/20 0.55
CHUK O15111 1/20 0.55
KDR P35968 1/20 0.55
FLT3 P36888 1/20 0.55
KMT2A Q03164 1/20 0.55
MYLK Q15746 1/20 0.55
MAP4K5 Q9Y4K4 1/20 0.55
JUN P05412 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL131701 0.90 P2RX1 (0.71) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL127962 0.83 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL4928355 0.83 P2RX1 (0.76) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL14514568 0.83 MEN1 (0.64) TMPRSS4MEN1KMT2A
SCHEMBL3277747 0.83 RUVBL1 (0.56) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL3497353 0.80 P2RX1 (0.72) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL15934966 0.80 P2RX1 (0.80) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL130143 0.80 P2RX1 (1.00) P2RX1P2RX7P2RX4TMPRSS4MEN1
SCHEMBL3278020 0.78 P2RX1 (0.68) P2RX1P2RX7P2RX4TMPRSS4P2RX3
SCHEMBL11001524 0.77 KDR (0.73) P2RX1P2RX7P2RX4MEN1KDR

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 9 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-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 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
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 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 (8 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA P2RX1 4560/4885P2RX7 4213/4885P2RX4 4767/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 P2RX1 2484/4885P2RX7 2360/4885P2RX4 3324/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 P2RX1 4850/4885P2RX7 4811/4885P2RX4 4871/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT P2RX1 2927/4885P2RX7 2720/4885P2RX4 3704/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA P2RX1 4680/4885P2RX7 4646/4885P2RX4 4774/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 P2RX1 3156/4885P2RX7 3197/4885P2RX4 4233/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR P2RX1 2425/4885P2RX7 2267/4885P2RX4 3298/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR P2RX1 2389/4885P2RX7 2289/4885P2RX4 3242/4885

“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.