SCHEMBL10328259

SCHEMBL10328259

CCC(=O)On1nnc2cccnc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ FAAH O00519 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34

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
SCHEMBL22404895 0.86 BRD4 (0.38) HPSEALDH1A1GAAFAAHMGLL
SCHEMBL23050973 0.82 BRD4 (0.41) ALDH1A1GAAFAAHMGLLBRD4
SCHEMBL23974808 0.82 FAAH (0.49) ALDH1A1GAAFAAHMGLLPOLB
SCHEMBL13563783 0.80 BRD4 (0.38) ALDH1A1GAAFAAHMGLLBRD4
SCHEMBL1562841 0.79 HPSE (0.60) HPSEALDH1A1POLBNPSR1KDM4E
SCHEMBL4204720 0.77 BRD4 (0.34) HPSEALDH1A1GAABRD4KDM4E
SCHEMBL22898718 0.76 ALDH1A1 (0.38) ALDH1A1GAAFAAHMGLLBRD4
SCHEMBL12872109 0.75 BRD4 (0.35) ALDH1A1GAAFAAHMGLLBRD4
SCHEMBL8779471 0.74 HDAC3 (0.58) ALDH1A1POLBNPSR1KMT2AHDAC3
SCHEMBL30162874 0.74 HDAC3 (0.58) ALDH1A1POLBNPSR1KMT2AHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 — — US disclosed
US-8471006-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2013-06-25 — — US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — US disclosed
US-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-01 — — US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 — — US disclosed
US-8217169-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2012-07-10 — — US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 — — US disclosed
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-03 — — US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 — — US disclosed
US-7812158-B2 Coupling agents for peptide synthesis UNIVERSITY OF MASSACHUSETTS (US) 2010-10-12 — — US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 — — US disclosed
US-20070112196-A1 New coupling agents for peptide synthesis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-17 — — 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 (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-20120277428-A1 NEW COUPLING AGENTS FOR PEPTIDE SYNTHESIS NGLY1, NPPA, VIP HPSE 4017/4885ALDH1A1 4753/4885GAA 3796/4885
US-20070112196-A1 New coupling agents for peptide synthesis NGLY1, NPPA, VIP HPSE 4132/4885ALDH1A1 4756/4885GAA 3655/4885
US-20110028720-A1 New Coupling Agents for Peptide Synthesis NGLY1, NPPA, VIP HPSE 4017/4885ALDH1A1 4753/4885GAA 3796/4885

“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.

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