SCHEMBL3279064

SCHEMBL3279064

O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cc(Cl)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.62
TMPRSS4 Q9NRS4 5/20 0.60
P2RX1 P51575 3/20 0.60
P2RX4 Q99571 3/20 0.60
P2RX7 Q99572 3/20 0.60
SLC2A1 P11166 1/20 0.60
MAPT P10636 3/20 0.58
SIRT5 Q9NXA8 1/20 0.58
CSNK2A2 P19784 1/20 0.55
CSNK2B P67870 1/20 0.55
CSNK2A1 P68400 1/20 0.55
CSNK2A3 Q8NEV1 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MPL P40238 1/20 0.53
ABL1 P00519 1/20 0.53
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
KDR P35968 1/20 0.52

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
SCHEMBL3277194 0.91 TMPRSS4 (0.61) CFTRTMPRSS4P2RX1P2RX4P2RX7
SCHEMBL3282170 0.89 TMPRSS4 (0.61) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL10226320 0.86 MAPT (0.64) CFTRMAPTSIRT5CSNK2A2CSNK2B
SCHEMBL14886086 0.85 MEN1 (0.61) TMPRSS4MAPTMEN1KMT2AABL1
SCHEMBL6154264 0.83 RRM1 (0.60) TMPRSS4MAPTMEN1KMT2AABL1
SCHEMBL15916030 0.81 MEN1 (0.69) MAPTMEN1KMT2AKDM4EABL1
SCHEMBL3278413 0.81 ABL1 (0.63) MPLABL1VCP
SCHEMBL14886002 0.80 KCNMA1 (0.57) TMPRSS4P2RX1P2RX4P2RX7SLC2A1
SCHEMBL6227272 0.79 MAPT (0.81) MAPTMEN1KMT2AKDM4EABL1
SCHEMBL18724400 0.78 ABL1 (0.69) CFTRMAPTSIRT5CSNK2A2CSNK2B

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 17 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-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-20060111409-A1 Medicament for treatment of diabetes INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-05-25 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-20060035944-A1 Remedies for neurodegenerative diseases INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-02-16 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP 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 (10 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-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 CFTR 2686/4885TMPRSS4 3777/4885P2RX1 3942/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA CFTR 2300/4885TMPRSS4 2764/4885P2RX1 4560/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 CFTR 509/4885TMPRSS4 3657/4885P2RX1 3455/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 CFTR 2936/4885TMPRSS4 3353/4885P2RX1 4850/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT CFTR 1086/4885TMPRSS4 4304/4885P2RX1 2927/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA CFTR 2729/4885TMPRSS4 4257/4885P2RX1 4680/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 CFTR 3536/4885TMPRSS4 3386/4885P2RX1 3156/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR CFTR 1279/4885TMPRSS4 4402/4885P2RX1 2425/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR CFTR 1263/4885TMPRSS4 4368/4885P2RX1 2389/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT CFTR 2805/4885TMPRSS4 4664/4885P2RX1 4680/4885

“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.