SCHEMBL4932787

SCHEMBL4932787

O=C(Nc1ccccc1)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.68
GAA P10253 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
CNR2 P34972 1/20 0.50
PGR P06401 1/20 0.50
HSD17B14 Q9BPX1 1/20 0.49
GRM5 P41594 2/20 0.48
GRM4 Q14833 2/20 0.48
CNR1 P21554 1/20 0.48
KDR P35968 1/20 0.48
PDE5A O76074 1/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL7612444 0.85 MAPT (0.67) POLBGAAKDM4EMEN1KMT2A
SCHEMBL9242640 0.84 POLB (0.72) POLBGAAKDM4EMEN1KMT2A
SCHEMBL13313417 0.83 POLB (0.70) POLBGAAKDM4EMEN1KMT2A
SCHEMBL8068188 0.83 P2RX7 (0.53) POLBGAAKDM4EHSD17B14GRM5
SCHEMBL10134862 0.82 POLB (0.51) POLBKDM4ESMN1; SMN2RAB9ANFKB1
SCHEMBL15347911 0.82 POLB (1.00) POLBGAAKDM4EMEN1KMT2A
SCHEMBL28252043 0.81 HSD17B14 (0.53) POLBKDM4EHSD17B14GRM5ALDH1A1
SCHEMBL7110101 0.80 KDM4E (0.57) KDM4EHSD17B14LMNAMAPTMCL1
SCHEMBL8101990 0.80 POLB (0.49) POLBGAAKDM4EMEN1KMT2A
SCHEMBL10934369 0.79 BTK (0.47) POLBGAAKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130102638-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ALGAE NETHERLAND MICHAEL D (US) 2013-04-25 US disclosed
US-20080009529-A1 Methods and compositions for controlling algae SEPRO CORPORATION 2008-01-10 US disclosed
WO-2003061387-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ALGAE SEPRO CORPORATION (US) 2003-07-31 WO disclosed
EP-0806414-B1 Intermediates for herbicidal carboxamide derivatives BASF AG (DE) 2002-06-12 EP disclosed
EP-1207154-A1 Herbicidal carboxamide derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-05-22 EP disclosed
EP-0447004-B1 Herbicidal carboxamide derivatives SHELL INT RESEARCH (NL) 1998-01-28 EP disclosed
EP-0806414-A1 Intermediates for herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-11-12 EP disclosed
US-5294597-A 2-((Halophenyl)amido-)m,6-((halophenyl)oxy-)pyridines SHELL RESEARCH LIMITED (GB) 1994-03-15 US disclosed
EP-0447004-A2 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-09-18 EP 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-20080009529-A1 Methods and compositions for controlling algae CYCS, PPOX, CRY1 POLB 2336/4885GAA 1629/4885KDM4E 418/4885
US-20130102638-A1 METHODS AND COMPOSITIONS FOR CONTROLLING ALGAE CYCS, PPOX, CRY1 POLB 2336/4885GAA 1629/4885KDM4E 418/4885

“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.