SCHEMBL6764331

SCHEMBL6764331

O=C(NCC(O)c1ccccc1)c1ccccc1Oc1nn(Cc2ccccc2)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
CNR1 P21554 1/20 0.45
ACHE P22303 1/20 0.45
CNR2 P34972 1/20 0.45
GUCY1B2 O75343 1/20 0.44
CYP1A2 P05177 1/20 0.44
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
GUCY1A2 P33402 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL6762976 0.83 PTGER4 (0.43) KDM4ETAAR1CNR1ACHECNR2
SCHEMBL6764315 0.82 KDM4E (0.58) KDM4ECNR1ACHECNR2GUCY1B2
SCHEMBL6763555 0.81 CNR1 (0.56) KDM4ECNR1ACHECNR2GUCY1B2
SCHEMBL6766831 0.80 CYP1A2 (0.61) KDM4ECNR1ACHECNR2GUCY1B2
SCHEMBL6764322 0.78 CNR1 (0.44) KDM4ECNR1ACHECNR2GUCY1B2
SCHEMBL6762478 0.78 USP30 (0.44) KDM4ECNR1ACHECNR2GUCY1B2
SCHEMBL6763004 0.76 MEN1 (0.47) KDM4ECNR1ACHECNR2GUCY1B2
SCHEMBL6762228 0.76 ACKR3 (0.47) KDM4EACHEGUCY1B2CYP1A2CHRM2
SCHEMBL6760247 0.76 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2TP53GLAHPGD
SCHEMBL6760125 0.75 MAPT (0.46) KDM4ECNR1ACHECNR2GUCY1B2

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 KDM4E 2813/4885TAAR1 2051/4885CNR1 1179/4885

“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.