SCHEMBL13448658

SCHEMBL13448658

CNC1(C(N)=O)CCCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1A2 P05177 1/20 0.33
OPRL1 P41146 2/20 0.31
P2RX7 Q99572 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL18122821 0.98 KDM4E (0.63) KDM4EKMT2AALDH1A1SMN1; SMN2CYP2D6
SCHEMBL14533055 0.95
SCHEMBL3715654 0.90
SCHEMBL807124 0.79 KDM4E (1.00) KDM4EKMT2ACYP1A2PKM
SCHEMBL7870008 0.79 KDM4E (0.59) KDM4EKMT2A
SCHEMBL18122804 0.79 KDM4E (0.59) KDM4EKMT2AALDH1A1OPRL1
SCHEMBL1226440 0.79 KDM4E (0.41) KDM4EKMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL10280093 0.78 KDM4E (0.57) KDM4EKMT2AALDH1A1CYP2D6CYP1A2
SCHEMBL3265376 0.78 KMT2A (0.42) KDM4EKMT2AALDH1A1SMN1; SMN2OPRL1
SCHEMBL13817485 0.78 KDM4E (0.57) KDM4EKMT2AOPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-9845292-B2 Selective FKBP51 ligands for treatment of psychiatric disorders MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2017-12-19 US disclosed
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS HAUSCH, FELIX (DE) 2016-10-06 US disclosed
EP-3071036-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-09-28 EP disclosed
WO-2015061165-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
WO-2010031820-A1 GLUCOSIDE DERIVATIVES AND USES THEREOF AS SGLT INHIBITORS NOVARTIS AG (CH) 2010-03-25 WO disclosed
US-20090156624-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof PRAECIS PHARMACEUTICALS INC (US) 2009-06-18 US disclosed
US-7405194-B2 Therapeutic agents and methods of use thereof for the treatment of melanoma PRAECIS PHARMACEUTICALS, INC. (US) 2008-07-29 US disclosed
US-20070254843-A1 Methods for treating bone associated diseases by the use of methionine aminopeptidase-2 inhibitors PRAECIS PHARMACEUTICALS INCORPORATED (US) 2007-11-01 US disclosed
US-20070117758-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-05-24 US disclosed
US-7157420-B2 Therapeutic agents and methods of use thereof for the modulation of angiogenesis PRAECIS PHARMACEUTICALS, INC. (US) 2007-01-02 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-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP KDM4E 3751/4885KMT2A 4016/4885ALDH1A1 3850/4885
US-20070117758-A1 Therapeutic agents and methods of use thereof for the modulation of angiogenesis METAP2, METAP1, ADM2 KDM4E 4207/4885KMT2A 4136/4885ALDH1A1 4016/4885
US-20160289184-A1 SELECTIVE FKBP51 LIGANDS FOR TREATMENT OF PSYCHIATRIC DISORDERS FKBP5, FKBP1A, FKBP1B KDM4E 4102/4885KMT2A 4481/4885ALDH1A1 2327/4885
US-20070254843-A1 Methods for treating bone associated diseases by the use of methionine aminopeptidase-2 inhibitors METAP2, ENPEP, METAP1 KDM4E 1198/4885KMT2A 467/4885ALDH1A1 2702/4885
US-20090156624-A1 Methionine aminopeptidase-2 inhibitors and methods of use thereof METAP2, METAP1, DNPEP KDM4E 1216/4885KMT2A 446/4885ALDH1A1 1155/4885

“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.