SCHEMBL5865591

SCHEMBL5865591

NC1c2ccccc2Oc2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
ESR2 Q92731 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
TRPA1 O75762 1/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX15 P16050 2/20 0.42
CASP1 P29466 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL27450966 0.84 MAOA (0.70) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL29413779 0.82 MAOA (0.58) MAOAMAOBMEN1KMT2ATSHR
SCHEMBL88261 0.82 MAOA (0.58) MAOAMAOBMEN1KMT2ATSHR
SCHEMBL31545095 0.82 MEN1 (0.48) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL3420122 0.79 ATM (0.44) MAOAMAOBMEN1KMT2ATSHR
SCHEMBL7506342 0.78 ATM (0.53) MEN1KMT2AALDH1A1HSD17B10ESR2
SCHEMBL27519942 0.78 MEN1 (0.45) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL14301526 0.78 MEN1 (0.45) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL19851151 0.76 MEN1 (0.64) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL24148895 0.76 MEN1 (0.59) MEN1KMT2AALDH1A1HSD17B10ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038037-B2 Method for sequential support-bound synthesis of conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 US claimed
EP-1098659-A4 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE INC (US) 2004-11-24 EP claimed
US-20040006203-A1 Method for sequential support-bound synthesis of conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. 2004-01-08 US claimed
EP-1098659-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS Metaphore, Inc. (US) 2001-05-16 EP claimed
WO-2000004868-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE, INC. (US) 2000-02-03 WO claimed
US-7038037-B2 Method for sequential support-bound synthesis of conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2006-05-02 US disclosed
US-20050106598-A1 Novel peptide-conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. 2005-05-19 US disclosed
US-6878805-B2 Peptide-conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
EP-1098659-A4 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE INC (US) 2004-11-24 EP disclosed
WO-2004016274-A3 NOVEL PEPTIDE-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS INC (US) 2004-03-25 WO disclosed
WO-2004016274-A2 NOVEL PEPTIDE-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2004-02-26 WO disclosed
US-20040034191-A1 Novel peptide-conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. 2004-02-19 US disclosed
US-20040006203-A1 Method for sequential support-bound synthesis of conjugated oligomeric compounds ISIS PHARMACEUTICALS, INC. 2004-01-08 US disclosed
EP-1098659-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS Metaphore, Inc. (US) 2001-05-16 EP disclosed
WO-2000004868-A2 LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS METAPHORE, INC. (US) 2000-02-03 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 (3 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-20040006203-A1 Method for sequential support-bound synthesis of conjugated oligomeric compounds PCNA, MSN, SSBP1 MAOA 1808/4885MAOB 1494/4885MEN1 2611/4885
US-20040034191-A1 Novel peptide-conjugated oligomeric compounds IAPP, NGLY1, TAP1 MAOA 4683/4885MAOB 4633/4885MEN1 1332/4885
US-20050106598-A1 Novel peptide-conjugated oligomeric compounds IAPP, NGLY1, TAP1 MAOA 4683/4885MAOB 4633/4885MEN1 1332/4885

“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.