SCHEMBL4568619

SCHEMBL4568619

O=[N+]([O-])c1cccc(C#Cc2cccnc2COc2cc(Cl)ccc2I)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP2C9 P11712 1/20 0.36
S1PR4 O95977 1/20 0.36
FFAR1 O14842 1/20 0.36
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.34
PPIA P62937 1/20 0.34
AKR1B1 P15121 1/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
S1PR2 O95136 1/20 0.34
HSP90AA1 P07900 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL10071086 0.81 PDE4A (0.40) KMT2AALDH1A1TDP1S1PR4MEN1
SCHEMBL10041247 0.76 FFAR1 (0.47) KMT2AALDH1A1FFAR1MEN1NPC1
SCHEMBL1541679 0.74 KMT2A (0.46) KMT2AALDH1A1TDP1FFAR1MEN1
SCHEMBL396650 0.69 S1PR4 (0.41) KMT2AALDH1A1TDP1CYP2C9S1PR4
SCHEMBL28728423 0.66 TSHR (0.67) KMT2AALDH1A1TDP1FFAR1MEN1
SCHEMBL27096953 0.62 KMT2A (0.53) KMT2AALDH1A1CYP2C9S1PR4MEN1
SCHEMBL27097026 0.62 KMT2A (0.53) KMT2AALDH1A1CYP2C9S1PR4MEN1
SCHEMBL8348558 0.62 ALDH1A1 (0.38) KMT2AALDH1A1FFAR1MEN1AKR1B1
SCHEMBL7819953 0.62 MEN1 (0.56) KMT2AALDH1A1TDP1MEN1NPC1
SCHEMBL9124019 0.62 ALDH1A1 (0.67) KMT2AALDH1A1TDP1FFAR1MEN1

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
EP-2043646-B1 (E)-N-{3-(8-Chloro-11H-10-oxa-1-aza- dibenzo[a,d]cyclohepten-5-ylidene)-propyl]-phenyl} -methanesulfonamide as a GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE LILLY CO ELI (US) 2012-05-16 EP disclosed
US-8101760-B2 Glucocorticoid receptor modulator and methods of use ELI LILLY AND COMPANY (US) 2012-01-24 US disclosed
US-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE ELI LILLY AND COMPANY (US) 2010-03-18 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-20100069425-A1 GLUCOCORTICOID RECEPTOR MODULATOR AND METHODS OF USE NR3C1, NR3C2, MC2R KMT2A 4003/4885PTGDR2 162/4885ALDH1A1 2595/4885

“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.