SCHEMBL3277747

SCHEMBL3277747

COc1cc(-c2ccccc2)ccc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RUVBL1 Q9Y265 1/20 0.56
AVPR2 P30518 1/20 0.55
GPR27 Q9NS67 1/20 0.55
RXFP1 Q9HBX9 3/20 0.55
P2RX1 P51575 7/20 0.54
P2RX4 Q99571 2/20 0.54
P2RX7 Q99572 2/20 0.54
TMPRSS4 Q9NRS4 1/20 0.54
ABCB1 P08183 1/20 0.53
P2RX3 P56373 1/20 0.51
JUN P05412 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
NR1H4 Q96RI1 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
MTTP P55157 1/20 0.49

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
SCHEMBL3284516 0.83 P2RX1 (0.71) P2RX1P2RX4P2RX7TMPRSS4P2RX3
SCHEMBL131701 0.80 P2RX1 (0.71) P2RX1P2RX4P2RX7TMPRSS4P2RX3
SCHEMBL28568150 0.77 RUVBL1 (0.79) RUVBL1SMN1; SMN2HTT
SCHEMBL17973447 0.76 P2RX1 (0.51) RUVBL1RXFP1P2RX1P2RX4P2RX7
SCHEMBL34475343 0.76 GPR27 (0.60) AVPR2GPR27RXFP1ABCB1NR1H4
SCHEMBL3143282 0.75 CTSD (0.64) ABCB1NR1H4SMN1; SMN2HTT
SCHEMBL133550 0.75 P2RX1 (0.63) RXFP1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL5491795 0.75 RXFP1 (0.88) RXFP1P2RX1
SCHEMBL11308149 0.74 CHEK1 (0.59) ABCB1NR1H4SMN1; SMN2
SCHEMBL16709939 0.74 TMPRSS4 (0.68) P2RX1P2RX4P2RX7TMPRSS4HTT

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 20 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-20060089395-A1 Nf-kb activation inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-04-27 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-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 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 (12 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 RUVBL1 3307/4885AVPR2 4762/4885GPR27 2741/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA RUVBL1 2751/4885AVPR2 1677/4885GPR27 1988/4885
US-20060111409-A1 Medicament for treatment of diabetes XDH, SLC5A1, SLC5A2 RUVBL1 4717/4885AVPR2 665/4885GPR27 1260/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 RUVBL1 4610/4885AVPR2 565/4885GPR27 330/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 RUVBL1 4312/4885AVPR2 1529/4885GPR27 2439/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT RUVBL1 4553/4885AVPR2 713/4885GPR27 427/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA RUVBL1 4226/4885AVPR2 1741/4885GPR27 2481/4885
US-20060100257-A1 Inhibitors against the activation of ap-1 and nfat NFATC1, AP1G1, ATF1 RUVBL1 3668/4885AVPR2 2281/4885GPR27 1804/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR RUVBL1 4632/4885AVPR2 554/4885GPR27 389/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR RUVBL1 4601/4885AVPR2 590/4885GPR27 376/4885
US-20060089395-A1 Nf-kb activation inhibitors NFKBIA, IKBKB, NFRKB RUVBL1 1373/4885AVPR2 3197/4885GPR27 4018/4885
US-20060035944-A1 Remedies for neurodegenerative diseases GLA, CHAT, MAPT RUVBL1 4250/4885AVPR2 2675/4885GPR27 2472/4885

“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.