SCHEMBL6320708

SCHEMBL6320708

O=[N+]([O-])c1ccc(N2CCNCC2)c2cccnc12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.81
ALDH1A1 P00352 8/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
HTT P42858 2/20 0.63
TNNI3 P19429 1/20 0.63
TNNT2 P45379 1/20 0.63
TNNC1 P63316 1/20 0.63
MITF O75030 1/20 0.63
MAPK1 P28482 2/20 0.62
KDM4E B2RXH2 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
RAB9A P51151 2/20 0.60
MTOR P42345 1/20 0.60
SIRT2 Q8IXJ6 1/20 0.60
LMNA P02545 5/20 0.59
CTSB P07858 3/20 0.57
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.50

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
SCHEMBL29741465 1.00 MAPT (0.81) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL28535272 0.90 MAPT (0.79) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL29741464 0.90 MAPT (0.79) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL28512817 0.90 MAPT (1.00) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL5449804 0.85 ALDH1A1 (0.67) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL5440898 0.85 CTSB (0.67) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL2711827 0.81 CTSB (0.75) MAPTALDH1A1SMN1; SMN2HTTTNNI3
SCHEMBL24701133 0.78 MTOR (0.83) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL4878641 0.77 MAPT (1.00) MAPTALDH1A1KMT2ASMN1; SMN2HTT
SCHEMBL28710430 0.77 NCF1 (0.58) MAPTALDH1A1KDM4EMTORLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US claimed
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US claimed
CN-112390751-B Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2022-07-05 CN disclosed
CN-112390751-A Toll-like receptor-7 small molecule inhibitor and preparation method thereof 清华大学 2021-02-23 CN disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 US disclosed
US-20050239833-A1 Compositions and methods for modulating interaction between polypeptides MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2005-10-27 US disclosed
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 US disclosed
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US 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 (4 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-20050239833-A1 Compositions and methods for modulating interaction between polypeptides IAPP, SERPINA6, SERPINA2 MAPT 2215/4885ALDH1A1 4852/4885KMT2A 4744/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 MAPT 2215/4885ALDH1A1 4852/4885KMT2A 4744/4885
US-20030166647-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP1, ADAMTS1 MAPT 1837/4885ALDH1A1 382/4885KMT2A 2725/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 MAPT 2215/4885ALDH1A1 4852/4885KMT2A 4744/4885

“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.