SCHEMBL6289705

SCHEMBL6289705

CC(=O)OCCOc1nn(Cc2ccccc2)c(N)c1-c1ccc2c(c1)OCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
EDNRB P24530 6/20 0.45
EDNRA P25101 5/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SCD5 Q86SK9 1/20 0.45
SLC16A3 O15427 1/20 0.42
SLC16A1 P53985 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL6289740 0.84 POLB (0.49) CYP19A1TSHRMAPK1TP53HPGD
SCHEMBL6289234 0.84 RIPK2 (0.44) EDNRBEDNRATSHRMAPK1PRKCZ
SCHEMBL6289617 0.83 CYP1A2 (0.50) CYP19A1EDNRBEDNRAMAPK1NPSR1
SCHEMBL6289616 0.79 CYP19A1 (0.42) CYP19A1EDNRBEDNRATSHRMAPK1
SCHEMBL6289899 0.78 EDNRB (0.49) CYP19A1EDNRBEDNRATSHRMAPK1
SCHEMBL6288946 0.73 GABRP (0.51) EDNRBEDNRATP53HPGDKDM4E
SCHEMBL6288875 0.72 KMT2A (0.45) EDNRBEDNRATP53HPGDNPC1
SCHEMBL7848497 0.70 GABRP (0.47) EDNRBEDNRATP53HPGDKDM4E
SCHEMBL6292787 0.70 EDNRA (0.44) CYP19A1EDNRBEDNRAMAPK1NPSR1
SCHEMBL6293084 0.69 KMT2A (0.42) TSHRMAPK1HPGDNPC1RAB9A

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-6962923-B2 Pyrazole compositions PFIZER INC. (US) 2005-11-08 US disclosed
US-20030232848-A1 Pyrazole compositions PFIZER INC. 2003-12-18 US disclosed
US-6573270-B1 Endothelin receptor antagonists PFIZER INC. 2003-06-03 US disclosed
EP-1072597-A1 Pyrazoles and their use as endothelin antagonists Pfizer Limited (GB) 2001-01-31 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-20030232848-A1 Pyrazole compositions EDNRB, EDNRA, AGTR1 CYP19A1 597/4885EDNRB 1/4885EDNRA 2/4885

“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.