SCHEMBL6289740

SCHEMBL6289740

CC(=O)OCCOc1nn(Cc2ccccc2)c(N)c1-c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
GAA P10253 1/20 0.49
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
TDP1 Q9NUW8 1/20 0.45
CYP19A1 P11511 1/20 0.43
LMNA P02545 3/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
F2RL3 Q96RI0 1/20 0.37

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
SCHEMBL6289705 0.84 CYP19A1 (0.49) GAACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6292817 0.81 LMNA (0.37) SMN1; SMN2LMNAKDM4EMAPTHPGD
SCHEMBL6292828 0.78 EDNRB (0.32) SMN1; SMN2LMNAHPGD
SCHEMBL6288912 0.76 EDNRB (0.40) GAAMAPK1SMN1; SMN2TDP1CYP19A1
SCHEMBL6288915 0.75 POLB (0.63) POLBGAACYP1A2CYP3A4CYP2D6
SCHEMBL6289615 0.69 MAPT (0.48) POLBCYP1A2CYP3A4CYP2D6CYP2C9
Toluene SCHEMBL6619657 0.66 ALDH1A1 (0.55) SMN1; SMN2TDP1LMNANPC1MEN1
SCHEMBL6288971 0.65 MAPT (0.41) POLBCYP1A2CYP3A4CYP2D6CYP2C9
P-Xylene SCHEMBL11399447 0.65 LMNA (0.54) GAASMN1; SMN2TDP1LMNAMEN1
SCHEMBL20551943 0.63 MAPK1 (1.00) POLBGAAMAPK1SMN1; SMN2TDP1

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 POLB 1475/4885GAA 4770/4885CYP1A2 337/4885

“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.