SCHEMBL5184259

SCHEMBL5184259

CC1(C)CC(=O)OC1(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.49
CHRNG P07510 1/20 0.49
CHRNB1 P11230 1/20 0.49
CHRNB2 P17787 1/20 0.49
SLC6A2 P23975 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
SLC6A3 Q01959 1/20 0.49
CHRND Q07001 1/20 0.49
KDM1A O60341 1/20 0.46
TSHR P16473 3/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.41
ACHE P22303 1/20 0.41
ALOX15 P16050 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL6400223 0.77 VCAM1 (0.41) LMNAMAPTALDH1A1
SCHEMBL6400535 0.76 TDP1 (0.41) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL10184986 0.71 TSHR (0.57) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL14253687 0.70 KDM1A (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6401065 0.70 CHRNA1 (0.39) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL16824941 0.69 KDM1A (0.55) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26218870 0.68 KDM1A (0.54) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
Dinitrophenylene SCHEMBL27442892 0.67 TSHR (0.85) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL28007654 0.67 KDM1A (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL26218874 0.67 KDM1A (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583967-B1 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES AICURIS GMBH & CO KG (DE) 2007-06-27 EP disclosed
US-20070004735-A1 Method for inhibiting the replication of herpes viruses AICURIS GMBH & CO. KG (DE) 2007-01-04 US disclosed
EP-1583967-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES Bayer HealthCare AG (DE) 2005-10-12 EP disclosed
US-20050059658-A1 Pyridazinone BAYER AKTIENGESELLSCHAFT (DE) 2005-03-17 US disclosed
WO-2004060860-A2 METHOD FOR INHIBITING THE REPLICATION OF HERPES VIRUSES BAYER HEALTHCARE AG (DE) 2004-07-22 WO disclosed
EP-1404657-A1 PYRIDAZINONE Bayer HealthCare AG (DE) 2004-04-07 EP disclosed
WO-2003002541-A1 PYRIDAZINONE BAYER HEALTHCARE AG (DE) 2003-01-09 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 (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-20050059658-A1 Pyridazinone TYMP, TPMT, PDXK CHRNA1 3542/4885CHRNG 4280/4885CHRNB1 3972/4885
US-20070004735-A1 Method for inhibiting the replication of herpes viruses RPL35, PCNA, MCM5 CHRNA1 4645/4885CHRNG 4660/4885CHRNB1 4733/4885

“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.