SCHEMBL12744366

SCHEMBL12744366

CCCNc1c(N)c(Cl)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.55
KDM4E B2RXH2 4/20 0.48
GAA P10253 2/20 0.48
SLC2A1 P11166 4/20 0.47
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
POLB P06746 3/20 0.46
RAD52 P43351 3/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 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
SCHEMBL6719555 0.92 KDM4E (0.57) APPKDM4EGAASLC2A1ALDH1A1
SCHEMBL22181050 0.83 ACHE (0.55) SLC2A1RAB9APOLBRAD52NPC1
SCHEMBL202694 0.83 POLB (0.68) KDM4EGAASLC2A1PDE5AALDH1A1
SCHEMBL843109 0.81 KDM4E (0.49) APPKDM4EGAASLC2A1ALDH1A1
SCHEMBL1456601 0.81 ACHE (0.53) APPKDM4EGAASLC2A1ALDH1A1
SCHEMBL31197385 0.81 KDM4E (0.49) APPKDM4EGAASLC2A1ALDH1A1
SCHEMBL28158394 0.81 POLB (0.68) APPKDM4EGAASLC2A1PDE5A
SCHEMBL21632108 0.81 BCHE (0.47) KDM4EGAAALDH1A1RAB9APOLB
SCHEMBL13968056 0.81 KMT2A (0.66) APPKDM4EGAAPDE5AALDH1A1
SCHEMBL1457504 0.80 POLB (0.46) APPKDM4EGAASLC2A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013067597-A1 IMMUNOMODULATORY CONJUGATES ASCEND BIOPHARMACEUTICALS PTY LTD (AU) 2013-05-16 WO disclosed
US-7915281-B2 Isoxazole, dihydroisoxazole, and oxadiazole substituted imidazo ring compounds and method 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-29 US disclosed
US-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-12-13 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-20070287725-A1 Isoxazole, Dihydroisoxazole, And Oxadiazole Substituted Imidazo Ring Compounds And Method IFNG, IL4, IL2 APP 4311/4885KDM4E 3807/4885GAA 1318/4885

“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.