SCHEMBL4378724

SCHEMBL4378724

CC(C)(C)OC(=O)c1cccc(CBr)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
NR3C2 P08235 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.35
ALOX5 P09917 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL1030553 0.85 SMN1; SMN2 (0.47) POLBHPGDMAPTMEN1KMT2A
SCHEMBL30114672 0.85 SMN1; SMN2 (0.47) POLBHPGDMAPTMEN1KMT2A
SCHEMBL29220976 0.82 MAPT (0.50) POLBHPGDMAPTMEN1KMT2A
SCHEMBL30954344 0.82 MAPT (0.50) POLBHPGDMAPTMEN1KMT2A
SCHEMBL4373422 0.80 ALDH1A1 (0.53) POLBHPGDMAPTMEN1KMT2A
SCHEMBL31014187 0.80 GPR35 (0.47) NR1D1POLBHPGDMAPTMEN1
SCHEMBL31014185 0.80 GPR35 (0.47) NR1D1POLBHPGDMAPTMEN1
SCHEMBL319240 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL30736662 0.79 ALDH1A1 (0.45) MEN1KMT2AALDH1A1HTTNPC1
SCHEMBL4369127 0.79 TSHR (0.47) POLBHPGDMAPTMEN1KMT2A

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-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-7622612-B2 Tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2009-11-24 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 US disclosed
US-20070021427-A1 Novel tricyclic derivatives and their use CHEMTECH RESEARCH INCORPORATION (KR) 2007-01-25 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-20070021427-A1 Novel tricyclic derivatives and their use NFATC1, IL2, CCL2 NR1D1 695/4885POLB 2831/4885HPGD 1239/4885

“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.