Sugi Predict

Sugi Predict / Compounds / SCHEMBL4985364

SCHEMBL4985364

SCHEMBL4985364

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(S(=O)(=O)c1ccc(Oc3ccc(Cl)c(Cl)c3)cc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.43
▸ FAAH O00519 1/20 0.39
▸ MKNK1 Q9BUB5 2/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4986688 0.94 P2RX7 (0.42) P2RX7FAAHMKNK1EPHX2KMT2A
SCHEMBL4988078 0.92 P2RX7 (0.43) P2RX7EPHX2KMT2ARXFP1TDP1
SCHEMBL4988742 0.91 P2RX7 (0.41) P2RX7EPHX2CA12CA9ALDH1A1
SCHEMBL4982677 0.89 KMT2A (0.39) P2RX7EPHX2KMT2ACA12CA9
SCHEMBL4982950 0.89 P2RX7 (0.44) P2RX7MKNK1ALDH1A1RECQLMAPT
SCHEMBL4985374 0.88 P2RX7 (0.47) P2RX7MKNK1KMT2ACA12CA9
SCHEMBL4988420 0.87 ALDH1A1 (0.38) P2RX7EPHX2KMT2ACA12CA9
SCHEMBL4991082 0.87 P2RX7 (0.46) P2RX7MKNK1ALDH1A1RECQLMAPT
SCHEMBL4989402 0.87 KMT2A (0.44) MKNK1EPHX2KMT2ACA12CA9
SCHEMBL4988136 0.87 CA12 (0.38) P2RX7EPHX2KMT2ACA12CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 — — US claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 — — US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 — — US disclosed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 — — 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 (2 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 P2RX7 1619/4885FAAH 171/4885MKNK1 2822/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885FAAH 494/4885MKNK1 1672/4885

“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.