SCHEMBL6528435

SCHEMBL6528435

Nc1ccccc1NCCN1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
LMNA P02545 4/20 0.51
KDM4E B2RXH2 3/20 0.51
SMARCA2 P51531 2/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACP1 P24666 1/20 0.51
MALT1 Q9UDY8 1/20 0.50
APAF1 O14727 1/20 0.49
NSD2 O96028 1/20 0.49
TSHR P16473 1/20 0.49
TOP2A P11388 1/20 0.47
HDAC1 Q13547 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
SCHEMBL29504400 1.00 KMT2A (0.51) KMT2AMEN1LMNAKDM4ESMARCA2
SCHEMBL7973929 0.91 POLB (0.54) KMT2ALMNAKDM4EPOLBGAA
SCHEMBL11722763 0.85 DRD3 (0.59) KMT2AMEN1SMARCA2L3MBTL1GAA
SCHEMBL5884397 0.84 DRD3 (0.57) KMT2AMEN1SMARCA2POLBL3MBTL1
SCHEMBL3879184 0.83 KAT2B (0.47) KMT2AMEN1LMNAKDM4EPOLB
SCHEMBL6528467 0.82 L3MBTL1 (0.53) KMT2AMEN1LMNAKDM4ESMARCA2
SCHEMBL10129706 0.82 KMT2A (0.53) KMT2AMEN1LMNAKDM4ESMARCA2
Hydrochloric Acid SCHEMBL3882917 0.81 KAT2B (0.46) KMT2AMEN1KDM4EPOLBL3MBTL1
SCHEMBL13500541 0.81 KDM4E (0.55) KMT2AMEN1LMNAKDM4ESMARCA2
SCHEMBL15956750 0.81 KMT2A (0.53) KMT2AMEN1LMNAKDM4ESMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380341-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-12-01 US disclosed
WO-2020240492-A1 1,3,4-OXADIAZOLE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2020-12-03 WO disclosed
WO-2020081856-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-04-23 WO disclosed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed
US-7635774-B2 2-Amino-imidazole derivatives; modulate the expression and/or function of proteins involved in inflammation, immune response regulation and cell proliferation AMGEN INC. (US) 2009-12-22 US disclosed
WO-2005021547-A2 HETEROCYCLIC CANNABINOID CB2 RECEPTOR ANTAGONISTS PHARMAXIS PTY LTD. (AU) 2005-03-10 WO disclosed
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 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 (1 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-20220380341-A1 INHIBITORS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE NAT1, CXCR4, HAX1 KMT2A 3244/4885MEN1 4741/4885LMNA 3289/4885

“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.