SCHEMBL3751779

SCHEMBL3751779

NC(=O)C1(Cc2cccnc2)NCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
CYP17A1 P05093 4/20 0.39
CYP19A1 P11511 4/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD11B1 P28845 2/20 0.38
KDM1A O60341 1/20 0.38
P2RX7 Q99572 1/20 0.36
VNN1 O95497 1/20 0.36
GSK3B P49841 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
FES P07332 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL4708203 0.74 HTR2A (0.34)
SCHEMBL6829064 0.74 CYP3A4 (0.40) CYP1A2CYP3A4HSD11B1ALDH1A1
SCHEMBL4758940 0.74 MTNR1A (0.33)
SCHEMBL3753675 0.72 OPRM1 (0.33) KDM1A
SCHEMBL7043763 0.70 RECQL (0.51) RECQLCYP17A1CYP19A1SIRT2SIRT1
SCHEMBL9270272 0.63 KCNQ2 (0.53) NAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL11099107 0.63 NPSR1 (0.43) NAPRTCYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL31125455 0.63 NAPRT (0.54) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL21827080 0.63 NAPRT (0.54) RECQLNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL4707432 0.63 KMT2A (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 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 (2 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 RECQL 323/4885CYP17A1 566/4885CYP19A1 654/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 RECQL 86/4885CYP17A1 1373/4885CYP19A1 629/4885

“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.