SCHEMBL1799124

SCHEMBL1799124

NC(=O)[C@H](N)Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.54
FDPS P14324 1/20 0.54
NAPRT Q6XQN6 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 1/20 0.49
DPP4 P27487 1/20 0.47
TBXAS1 P24557 5/20 0.47
HSD17B10 Q99714 1/20 0.46
PKM P14618 2/20 0.46
F7 P08709 1/20 0.46
F3 P13726 1/20 0.46
SARM1 Q6SZW1 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
SIRT4 Q9Y6E7 1/20 0.46

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
SCHEMBL27396775 1.00 RECQL (0.54) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL14795824 1.00 RECQL (0.54) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL29780058 0.86 FDPS (0.54) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL29432890 0.86 SLC7A5 (0.65) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL30655750 0.86 SLC7A5 (0.65) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL5056888 0.86 SLC7A5 (0.65) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL124365 0.86 SLC7A5 (0.65) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL124364 0.86 SLC7A5 (0.65) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL8370181 0.86 FDPS (0.54) RECQLFDPSNAPRTCYP1A2CYP3A4
SCHEMBL12240917 0.86 FDPS (0.54) RECQLFDPSNAPRTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951972-B2 Human adam-10 inhibitors EXELIXIS, INC. (US) 2011-05-31 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050227973-A1 Human adam-10 inhibitors EXELIXIS, INC. 2005-10-13 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (5 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 RECQL 1088/4885FDPS 1541/4885NAPRT 3756/4885
US-20050227973-A1 Human adam-10 inhibitors ADAM10, ADAM12, ADAM9 RECQL 3150/4885FDPS 1084/4885NAPRT 2242/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 RECQL 1088/4885FDPS 1541/4885NAPRT 3756/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 RECQL 3825/4885FDPS 1117/4885NAPRT 3451/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 RECQL 1269/4885FDPS 1478/4885NAPRT 4062/4885

“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.