SCHEMBL6636985

SCHEMBL6636985

O=C(NC1CCCc2ccccc21)c1ccc2cnccc2n1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TSHR P16473 2/20 0.64
HTT P42858 1/20 0.56
KDM4E B2RXH2 1/20 0.55
TAS1R3 Q7RTX0 5/20 0.54
TAS1R1 Q7RTX1 5/20 0.54
TAS1R2 Q8TE23 5/20 0.54
CNR1 P21554 2/20 0.54
CNR2 P34972 2/20 0.54
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
MEN1 O00255 1/20 0.50
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 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
SCHEMBL5095621 0.94 ALDH1A1 (0.56) ALDH1A1TSHRHTTKDM4ETAS1R3
SCHEMBL6639886 0.84 TSHR (0.44) ALDH1A1TSHRHTTKDM4ECNR1
SCHEMBL6637090 0.82 TRPV1 (0.43) ALDH1A1TSHRHTTCNR1CNR2
SCHEMBL6685602 0.82 ALDH1A1 (0.54) ALDH1A1TSHRHTTTAS1R3TAS1R1
SCHEMBL6085186 0.81 CNR1 (0.60) ALDH1A1TSHRHTTKDM4ETAS1R3
SCHEMBL12505792 0.78 HTT (0.80) ALDH1A1TSHRHTTKDM4ETAS1R3
SCHEMBL29563786 0.77 HTT (0.65) ALDH1A1TSHRHTTKDM4ETAS1R3
SCHEMBL16691255 0.77 ALDH1A1 (0.60) ALDH1A1TSHRHTTKDM4ETAS1R3
SCHEMBL1018087 0.77 SCN9A (0.48)
SCHEMBL6637965 0.76 ALDH1A1 (0.47) ALDH1A1TSHRHTTTAS1R3TAS1R1

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
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP claimed
EP-0984967-B1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS IAF BIOCHEM INT (CA) 2004-02-25 EP disclosed
EP-1037633-B1 ANTIVIRAL COMPOUNDS IAF BIOCHEM INT (CA) 2003-09-10 EP disclosed
US-6534520-B2 Antiviral compounds BIOCHEM PHARMA INC. (CA) 2003-03-18 US disclosed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US disclosed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US disclosed
EP-1037633-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC (CA) 2000-09-27 EP disclosed
EP-0984967-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC (CA) 2000-03-15 EP disclosed
WO-1999029318-A1 ANTIVIRAL COMPOUNDS BIOCHEM PHARMA INC. (CA) 1999-06-17 WO disclosed
WO-1997034894-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR ANALOGUES INHIBITING CYTOMEGALOVIRUS BIOCHEM PHARMA INC. (CA) 1997-09-25 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-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 ALDH1A1 2126/4885TSHR 3652/4885HTT 3224/4885

“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.