SCHEMBL6218142

SCHEMBL6218142

CNC(=O)CN1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM3 P20309 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
SCHEMBL4697006 0.98 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TDP1NPC1POLB
SCHEMBL6039740 0.95
SCHEMBL13214851 0.90 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1POLBKDM4E
SCHEMBL20230977 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TDP1NPC1POLB
SCHEMBL15199219 0.88 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1NPC1POLB
SCHEMBL24489899 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1NPC1POLB
SCHEMBL21764406 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1NPC1POLB
SCHEMBL13255644 0.84 SIGMAR1 (0.64) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13381313 0.84 CHRM5 (0.58) ALDH1A1SMN1; SMN2TDP1NPC1POLB
SCHEMBL3556290 0.82 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1NPC1POLB

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
WO-2022166920-A1 PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 杭州中美华东制药有限公司 2022-08-11 WO disclosed
US-11325940-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2022-05-10 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2020012357-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PVT. LTD. (IN) 2020-01-16 WO disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors NICHOLAS PIRAMAL INDIA LIMITED. (IN) 2007-12-27 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1465892-A4 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1465892-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-13 EP disclosed
WO-2003048158-A1 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 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 (7 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-11325940-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 ALDH1A1 290/4885SMN1; SMN2 3577/4885TDP1 1779/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 ALDH1A1 3576/4885SMN1; SMN2 3927/4885TDP1 462/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 ALDH1A1 3787/4885SMN1; SMN2 2381/4885TDP1 2142/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS ALDH1A1 4415/4885SMN1; SMN2 4312/4885TDP1 2775/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 ALDH1A1 4358/4885SMN1; SMN2 4412/4885TDP1 4444/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM ALDH1A1 4673/4885SMN1; SMN2 2481/4885TDP1 4554/4885
US-20070299051-A1 Tricyclic Guanidine Derivatives as Sodium-Proton Exchange Inhibitors ATP2A1, ATP2A3, KCNN4 ALDH1A1 1222/4885SMN1; SMN2 3205/4885TDP1 2213/4885

“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.