SCHEMBL2385706

SCHEMBL2385706

CN(C)CCCNC(=O)c1cc[c]cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.64
KDM4E B2RXH2 4/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 5/20 0.50
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
NAMPT P43490 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX15 P16050 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL395691 0.90 ALDH1A1 (0.59) HPGDKDM4ETHRATHRBALDH1A1
SCHEMBL10020214 0.88 HPGD (0.79) HPGDKDM4EL3MBTL1THRATHRB
SCHEMBL14797432 0.84 LMNA (0.56) THRBALDH1A1POLBSMN1; SMN2HDAC3
SCHEMBL2120631 0.83 HPGD (0.68) HPGDKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL4351637 0.83 POLB (0.54) HPGDKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL3115279 0.83 DRD2 (0.47) HPGDALDH1A1POLBNPC1RAB9A
SCHEMBL8411545 0.82 HPGD (0.70) HPGDKDM4EL3MBTL1THRATHRB
SCHEMBL2120449 0.82 HPGD (0.70) HPGDKDM4EL3MBTL1THRATHRB
SCHEMBL4158767 0.81 SMN1; SMN2 (0.62) HPGDL3MBTL1THRATHRBALDH1A1
SCHEMBL3141624 0.81 SETD7 (0.58) HPGDTHRATHRBALDH1A1SMN1; SMN2

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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US claimed
CN-110023312-A The Compounds and methods for for preventing malarial parasite from propagating 由卫生与公众服务部部长代表的美利坚合众国 2019-07-16 CN disclosed
EP-2758380-B1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS HOFFMANN LA ROCHE (CH) 2015-10-21 EP disclosed
US-9073881-B2 Benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2015-07-07 US disclosed
US-8871789-B2 Method of preventing or treating viral infection THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-10-28 US disclosed
EP-2758380-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-07-30 EP disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 US disclosed
WO-2013041468-A1 BENZOIC ACID DERIVATIVES AS EIF4E INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-28 WO disclosed
US-20130079346-A1 BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE INC. 2013-03-28 US disclosed
US-8017611-B2 Pyridine and pyrazine derivatives -083 ASTRAZENECA AB (SE) 2011-09-13 US disclosed
EP-2215085-B1 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-09-07 EP disclosed
CN-101910158-A Pyridine and pyrazine derivatives useful in the treatment of cell proliferative disorders ASTRAZENECA AB 2010-12-08 CN disclosed
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS ASTRAZENECA (SE) 2010-08-26 US disclosed
EP-2215085-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2010-08-11 EP disclosed
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 ASTRAZENECA AB (SE) 2009-05-07 US disclosed
WO-2009053737-A2 PYRIDINE AND PYRAZINE DERIVATIVES USEFUL IN THE TREATMENT OF CELL PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2009-04-30 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 (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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A HPGD 2186/4885KDM4E 21/4885L3MBTL1 274/4885
US-20100216791-A1 PYRIDINYLQUINAZOLINAMINE DERIVATIVES AND THEIR USE AS B-RAF INHIBITORS BRAF, RAF1, ARAF HPGD 1183/4885KDM4E 2452/4885L3MBTL1 3427/4885
US-20130079346-A1 BENZOIC ACID DERIVATIVES EIF4EBP1, EIF4E, EIF4A2 HPGD 2620/4885KDM4E 390/4885L3MBTL1 931/4885
US-20090118305-A1 PYRIDINE AND PYRAZINE DERIVATIVES - 083 MKI67, CCND3, CCND1 HPGD 308/4885KDM4E 2374/4885L3MBTL1 4648/4885

“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.