SCHEMBL7067443

SCHEMBL7067443

Cc1nnnn1N=Cc1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 3/20 0.45
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
GFER P55789 1/20 0.42
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
AMY1A P0DUB6 2/20 0.33
MEN1 O00255 1/20 0.33
PABPC1 P11940 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL7070861 0.98 ALDH1A1 (0.45) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL7068147 0.93 ALDH1A1 (0.41) ALDH1A1GAAKDM4EHPGDGFER
Vp-14637 SCHEMBL29351615 0.89 GAA (0.45) ALDH1A1GAAKDM4EHPGDGFER
Vp-14637 SCHEMBL20741449 0.89 GAA (0.45) ALDH1A1GAAKDM4EHPGDGFER
Vp-14637 SCHEMBL16743389 0.89 GAA (0.45) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL9928639 0.81 ALDH1A1 (0.48) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL10106495 0.80 GAA (0.45) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL22788662 0.78 KDM4E (0.49) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL21117062 0.77 GAA (0.38) ALDH1A1GAAKDM4EHPGDGFER
SCHEMBL6215111 0.75 GAA (0.40) ALDH1A1GAAKDM4EHPGDGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 US claimed
US-6495580-B1 A BENZYLIDENE DERIVATIVE CONTAINING HETEROCYCLIC RING IS USEFUL AS PNEUMOVIRUS INHIBITOR VIROPHARMA INCORPORATED 2002-12-17 US claimed
EP-1051169-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2002-05-29 EP claimed
EP-1051169-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2000-11-15 EP claimed
WO-1999038508-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 1999-08-05 WO claimed
US-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 US disclosed
US-6495580-B1 A BENZYLIDENE DERIVATIVE CONTAINING HETEROCYCLIC RING IS USEFUL AS PNEUMOVIRUS INHIBITOR VIROPHARMA INCORPORATED 2002-12-17 US disclosed
EP-1051169-A4 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2002-05-29 EP disclosed
EP-1051169-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2000-11-15 EP disclosed
WO-1999038508-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 1999-08-05 WO 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-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML ALDH1A1 3369/4885GAA 1534/4885KDM4E 4428/4885

“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.