SCHEMBL3109633

SCHEMBL3109633

CCNC(=O)c1ccc([N+](=O)[O-])c(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 8/20 0.64
MYC P01106 3/20 0.62
MAX P61244 2/20 0.62
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
AKR1C1 Q04828 1/20 0.56
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CTSV O60911 1/20 0.47

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
SCHEMBL3109095 0.85 GAA (0.55) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL12533175 0.85 AKR1C3 (0.53) BRD4MYCMAXAKR1C3AKR1C2
SCHEMBL527105 0.84 MYC (0.59) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL30082879 0.84 MYC (0.59) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL528177 0.84 MYC (0.67) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL30082870 0.84 MYC (0.67) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL3109614 0.83 AKR1C3 (0.57) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL23628923 0.82 MYC (0.56) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL30049984 0.82 MYC (0.56) MYCMAXAKR1C3AKR1C2AKR1C1
SCHEMBL27620972 0.82 MAPK1 (0.57) MYCMAXAKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956219-B2 Amino acid analogues Baker IDI Heart and Diabetes (AU) 2011-06-07 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 BRD4 700/4885MYC 3785/4885MAX 3444/4885

“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.