SCHEMBL3916804

SCHEMBL3916804

NNC(=O)C1=CC=CCC1=S

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.34
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MPO P05164 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM5A P29375 1/20 0.31
BLM P54132 1/20 0.31
GFER P55789 1/20 0.31
PMP22 Q01453 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL11029531 0.83 HDAC2 (0.31)
SCHEMBL8902793 0.81
SCHEMBL9247348 0.79
SCHEMBL2723697 0.79 P2RX7 (0.35) P2RX7MAPTKDM4EGAAL3MBTL1
SCHEMBL3328286 0.79
SCHEMBL11499637 0.78
SCHEMBL182009 0.78
SCHEMBL5160584 0.76
SCHEMBL7516468 0.76
SCHEMBL3622646 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048667-B1 Process for preparing 8-cyclopentyl-6-ethyl-3-(substituted)-5,8-dihydro-4H-1,2,3A,7,8-pentaaza-as-indacenes and intermediates useful therein PFIZER PROD INC (US) 2003-10-22 EP claimed
US-7563905-B2 Triazole derivatives and method of using the same to treat HIV infections WYETH (US) 2009-07-21 US disclosed
WO-2005090320-A2 TRIAZOLE DERIVATIVES AND METHOD OF USING THE SAME TO TREAT HIV INFECTIONS WYETH (US) 2005-09-29 WO disclosed
US-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections WYETH 2005-09-22 US disclosed
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed
EP-0323590-A2 Carbazoyl derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1989-07-12 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 (1 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-20050209287-A1 Triazole derivatives and method of using the same to treat HIV infections CYP3A43, XDH, AKR1C3 P2RX7 1734/4885MAPT 4255/4885KDM4E 2734/4885

“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.