SCHEMBL6766823

SCHEMBL6766823

O=C(NCCCCO)c1ccc(Oc2nn(Cc3ccccc3)c3ccccc23)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 9/20 0.46
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ACHE P22303 1/20 0.44
SCN9A Q15858 1/20 0.43
USP30 Q70CQ3 1/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
GUCY1B2 O75343 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
GUCY1A2 P33402 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL6762222 0.90 KDM4E (0.56) PTGER4CNR1CNR2ACHEUSP30
SCHEMBL6763509 0.83 PARP1 (0.47) KDM4EHPGDGLAL3MBTL1ALDH1A1
SCHEMBL6762770 0.83 CNR1 (0.54) PTGER4CNR1CNR2ACHEUSP30
SCHEMBL6762976 0.82 PTGER4 (0.43) PTGER4CNR1CNR2ACHEUSP30
SCHEMBL6760260 0.81 CNR1 (0.50) PTGER4CNR1CNR2ACHEKDM4E
SCHEMBL6762508 0.78 CNR1 (0.41) PTGER4CNR1CNR2ACHEUSP30
SCHEMBL6762652 0.77 SLC16A3 (0.41) PTGER4CNR1CNR2ACHEUSP30
SCHEMBL6764379 0.76 PDE5A (0.62) PTGER4CNR1CNR2ACHEKDM4E
SCHEMBL5374454 0.74 PDE5A (0.62) PTGER4SCN9AKDM4ECYP1A2CYP2D6
SCHEMBL6766831 0.74 CYP1A2 (0.61) PTGER4CNR1CNR2ACHEKDM4E

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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 US claimed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 WO claimed
US-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase ABBOTT LABORATORIES 2004-03-11 US disclosed
WO-2003076408-A2 INDAZOLE DERIVATIVES THAT ARE ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2003-09-18 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-20040048866-A1 Indazole derivatives that are activators of soluble guanylate cyclase GUCY1B1, GUCY1A1, GUCY1A2 PTGER4 459/4885CNR1 1179/4885CNR2 1561/4885

“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.