SCHEMBL3420122

SCHEMBL3420122

NC1c2ccccc2Oc2cc([O])ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.44
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
CYP2C9 P11712 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
NR3C1 P04150 2/20 0.35
NISCH Q9Y2I1 1/20 0.35

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
SCHEMBL29413779 0.82 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL88261 0.82 MAOA (0.58) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL5865591 0.79 MAOA (0.47) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL6566874 0.72 L3MBTL1 (0.50) ATMCYP2C9MEN1KMT2AUSP2
SCHEMBL16450352 0.71 CYP3A4 (0.43) MEN1KMT2AUSP2NR3C1TP53
SCHEMBL7219661 0.71 ATM (0.47) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL3374471 0.71 ATM (0.47) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL7880558 0.71 ATM (0.47) ATMMAOAMAOBCYP2C9HDAC3
SCHEMBL2277251 0.69 MAOB (0.50) MAOAMAOBSMN1; SMN2NPSR1MAPT
SCHEMBL1461768 0.69 MAOA (0.44) ATMMAOAMAOBCYP2C9HDAC3

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 16 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
EP-2226637-A1 Cross-linking agents on solid medium Centre National de la Recherche Scientifique (CNRS) (FR) 2010-09-08 EP disclosed
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 ATM 3803/4885MAOA 1808/4885MAOB 1494/4885
US-20040034191-A1 Novel peptide-conjugated oligomeric compounds IAPP, NGLY1, TAP1 ATM 4743/4885MAOA 4683/4885MAOB 4633/4885
US-20050106598-A1 Novel peptide-conjugated oligomeric compounds IAPP, NGLY1, TAP1 ATM 4743/4885MAOA 4683/4885MAOB 4633/4885

“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.