SCHEMBL2052253

SCHEMBL2052253

O=C(Nc1ccccc1)C(=O)NN1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
LMNA P02545 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
TP53 P04637 3/20 0.50
POLB P06746 3/20 0.50
NPC1 O15118 2/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
RECQL P46063 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.47
RAB9A P51151 2/20 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
SCHEMBL8961559 0.82 TP53 (0.57) HTTLMNAALDH1A1KDM4EKMT2A
SCHEMBL57554 0.77 SMN1; SMN2 (0.70) HTTLMNAALDH1A1KDM4EKMT2A
Benzene SCHEMBL28977956 0.77 SMN1; SMN2 (0.70) HTTLMNAALDH1A1KDM4EKMT2A
SCHEMBL9872789 0.74 HTT (0.45) HTTLMNAALDH1A1KDM4ETP53
SCHEMBL27966285 0.73 ALDH1A1 (0.46) HTTLMNAALDH1A1KDM4EKMT2A
SCHEMBL4051171 0.73 RAB9A (0.69) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL9282775 0.73 HTT (1.00) HTTLMNAALDH1A1KMT2ATP53
N-Piperidinobenzamide SCHEMBL696161 0.73 HTT (1.00) HTTLMNAALDH1A1KMT2ATP53
SCHEMBL420582 0.73 RAB9A (0.69) ALDH1A1KDM4EKMT2AMEN1POLB
Hydrazine SCHEMBL28432690 0.72 SMN1; SMN2 (0.64) HTTLMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130108653-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION AARHUS UNIVERSITET (DK) 2013-05-02 US claimed
EP-2516459-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION Aarhus Universitet (University Of Aarhus) (DK) 2012-10-31 EP claimed
WO-2011077093-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION AARHUS UNIVERSITET (DK) 2011-06-30 WO claimed
US-20130108653-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION AARHUS UNIVERSITET (DK) 2013-05-02 US disclosed
EP-2516459-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION Aarhus Universitet (University Of Aarhus) (DK) 2012-10-31 EP disclosed
WO-2011077093-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION AARHUS UNIVERSITET (DK) 2011-06-30 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 (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-20130108653-A1 BIVALENT MOLECULES FOR HIV ENTRY INHIBITION CD4, HAVCR2, BST2 HTT 4781/4885LMNA 2822/4885ALDH1A1 3644/4885

“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.