SCHEMBL3282170

SCHEMBL3282170

O=C(Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1)c1cc(Cl)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 5/20 0.61
P2RX1 P51575 3/20 0.61
P2RX4 Q99571 3/20 0.61
P2RX7 Q99572 3/20 0.61
GSTO1 P78417 1/20 0.56
ALOX5 P09917 2/20 0.56
SIRT5 Q9NXA8 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 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
MYLK Q15746 1/20 0.55
MAP4K5 Q9Y4K4 1/20 0.55
KDM1A O60341 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 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 0.92 TMPRSS4 (0.61) TMPRSS4P2RX1P2RX4P2RX7ALOX5
SCHEMBL3279064 0.89 CFTR (0.62) TMPRSS4P2RX1P2RX4P2RX7SIRT5
SCHEMBL6154264 0.86 RRM1 (0.60) TMPRSS4MEN1KMT2AMAPTABL1
SCHEMBL14886086 0.85 MEN1 (0.61) TMPRSS4MEN1KMT2AMAPTABL1
SCHEMBL3278413 0.84 ABL1 (0.63) ALOX5ABL1KCNMA1
SCHEMBL3615040 0.83 MEN1 (0.57) GSTO1ALOX5MEN1KMT2AKDM1A
SCHEMBL3277061 0.83 MEN1 (0.62) P2RX1GSTO1ALOX5SIRT5MEN1
SCHEMBL14886002 0.82 KCNMA1 (0.57) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL3276770 0.80 KCNMA1 (0.55) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL3276794 0.80 MAPT (0.61) P2RX1KDM4EMAPTKCNMA1

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 19 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-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-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS 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
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS 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 (11 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 TMPRSS4 3777/4885P2RX1 3942/4885P2RX4 4676/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA TMPRSS4 2764/4885P2RX1 4560/4885P2RX4 4767/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 TMPRSS4 3657/4885P2RX1 3455/4885P2RX4 3835/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 TMPRSS4 4322/4885P2RX1 2484/4885P2RX4 3324/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 TMPRSS4 3353/4885P2RX1 4850/4885P2RX4 4871/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT TMPRSS4 4304/4885P2RX1 2927/4885P2RX4 3704/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA TMPRSS4 4257/4885P2RX1 4680/4885P2RX4 4774/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 TMPRSS4 3386/4885P2RX1 3156/4885P2RX4 4233/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR TMPRSS4 4402/4885P2RX1 2425/4885P2RX4 3298/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR TMPRSS4 4368/4885P2RX1 2389/4885P2RX4 3242/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT TMPRSS4 4664/4885P2RX1 4680/4885P2RX4 4784/4885

“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.